4-Hydroxyquinazoline(491-36-1) MS
Product Name4-Hydroxyquinazoline
CAS491-36-1
Molecular FormulaC8H6N2O
Molecular Weight146.15
InChIInChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
InChIKey QMNUDYFKZYBWQX-UHFFFAOYSA-N
SmilesN1C2=C(C=CC=C2)C(=O)NC=1
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MassMS-NW-7943 4-quinazolinol C8H6N2O (Mass of molecular ion: 146)
Source Temperature: 170 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 2.1 28.0 8.0 37.0 2.5 38.0 3.8 39.0 5.2 41.0 1.3 50.0 5.4 51.0 1.6 52.0 2.3 53.0 1.0 59.0 4.4 61.0 1.4 62.0 2.6 63.0 9.1 64.0 10.7 65.0 2.2 73.0 2.7 74.0 2.2 75.0 1.9 76.0 4.8 90.0 13.2 91.0 12.7 92.0 12.2 103.0 1.1 117.0 6.7 118.0 25.7 119.0 17.1 120.0 1.5 145.0 33.3 146.0 100.0 147.0 9.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H6 N2 O 0.040 g : 0.5 ml DMSO-d6 4-quinazolinol 
Assign. Shift(ppm)
A 12.31 B 8.17 C 8.150 D 7.844 E 7.708 F 7.558
Hz ppm Int.4918.75 12.308 101 3273.73 8.192 48 3270.80 8.185 423 3270.25 8.183 444 3269.16 8.181 483 3268.79 8.180 461 3262.93 8.165 475 3262.38 8.164 522 3261.28 8.161 561 3260.73 8.159 537 3257.25 8.151 1000 3251.39 8.136 48 3250.84 8.135 46 3144.05 7.868 269 3142.40 7.863 300 3140.39 7.858 47 3136.91 7.850 345 3135.81 7.847 475 3135.26 7.846 446 3134.16 7.843 427 3131.23 7.835 43 3130.68 7.834 43 3128.67 7.829 436 3127.02 7.825 421 3083.97 7.717 543 3079.03 7.705 52 3076.28 7.698 398 3075.73 7.697 401 3030.31 7.583 30 3028.11 7.577 340 3027.01 7.575 358 3020.97 7.560 367 3020.05 7.557 546 3019.13 7.555 413 3015.65 7.546 40 3015.10 7.545 40 3013.09 7.540 295 3011.99 7.537 294
in DMSO-d6
KBr disc
nujol mull
