5-METHOXY-2-METHYL-3-INDOLEACETIC ACID(2882-15-7) Raman
Product Name5-METHOXY-2-METHYL-3-INDOLEACETIC ACID
CAS2882-15-7
Molecular FormulaC12H13NO3
Molecular Weight219.24
InChIInChI=1S/C12H13NO3/c1-7-9(6-12(14)15)10-5-8(16-2)3-4-11(10)13-7/h3-5,13H,6H2,1-2H3,(H,14,15)
InChIKey TXWGINUZLBAKDF-UHFFFAOYSA-N
SmilesN1C2=C(C=C(OC)C=C2)C(CC(O)=O)=C1C
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MassMS-IW-4648 5-methoxy-2-methyl-3-indoleacetic acid C12H13NO3 (Mass of molecular ion: 219)
Source Temperature: 170 °C Sample Temperature: 140 °C Direct, 75 eV
28.0 1.4 44.0 1.2 51.0 1.7 52.0 1.2 63.0 2.1 77.0 2.9 86.5 1.5 87.0 3.4 89.0 2.1 90.0 1.0 102.0 1.1 103.0 2.4 115.0 1.2 116.0 1.0 130.0 6.9 131.0 10.9 132.0 1.9 143.0 1.8 144.0 1.0 158.0 7.4 159.0 15.4 160.0 4.4 173.0 4.2 174.0 100.0 175.0 13.9 176.0 4.3 218.0 1.6 219.0 44.0 220.0 6.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H13 N O3 0.041 g : 0.5 ml DMSO-d6 5-methoxy-2-methyl-3-indoleacetic acid 
Assign. Shift(ppm)
A 12.1 B 10.6 C 7.129 D 6.896 E 6.635 F 3.723 G 3.531 J 2.295
Hz ppm Int.4820.76 12.063 142 4255.50 10.649 107 2853.73 7.141 147 2844.94 7.119 160 2757.21 6.900 132 2754.82 6.894 136 2657.38 6.650 94 2655.00 6.644 89 2648.77 6.628 87 2646.21 6.622 83 1488.04 3.724 1000 1411.48 3.532 392 917.30 2.296 727
KBr disc
nujol mull
