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Product NamePonceau S
CAS6226-79-5
Molecular FormulaC22H17N4NaO13S4
Molecular Weight696.62
InChI
InChIKey
Smiles
1HNMR
IR1
IR2
400 MHz in DMSO-d6
Assign. Shift(ppm) A 8.458 B 8.432 C 8.338 D 8.310 E 8.165 F 8.020 G 7.940 J 7.89 K 7.867 L 6.74
Hz ppm Int.
3384.89 8.470 401 3381.84 8.463 88 3381.10 8.461 83 3380.49 8.459 78 3376.34 8.449 489 3374.27 8.444 447 3370.24 8.433 64 3370.00 8.433 64 3369.51 8.432 64 3365.48 8.422 460 3360.84 8.410 35 3333.62 8.342 628 3331.30 8.336 644 3328.00 8.328 61 3327.51 8.327 59 3327.27 8.326 59 3326.90 8.325 59 3326.66 8.324 59 3326.29 8.324 61 3321.29 8.311 877 3315.67 8.297 32 3268.19 8.178 270 3266.24 8.173 243 3263.06 8.165 56 3262.82 8.165 56 3259.52 8.156 235 3257.32 8.151 230 3206.18 8.023 543 3204.71 8.019 556 3199.95 8.007 37 3199.22 8.006 32 3185.18 7.970 32 3178.83 7.955 567 3170.29 7.933 976 3163.94 7.917 72 3163.70 7.917 72 3163.21 7.915 72 3159.30 7.906 364 3157.71 7.902 334 3155.03 7.895 91 3150.88 7.885 398 3149.17 7.880 561 3147.22 7.875 1000 3138.67 7.854 636 3132.93 7.840 35 2693.12 6.739 217 2621.83 6.561 35
KBr disc
nujol mull
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