For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Ethanone, 1-[4-(hydroxymethyl)-2-(3-methylphenyl)-5-thiazolyl]-
SpectraBase Compound ID Ce7ftmq3Oeb
InChI InChI=1S/C13H13NO2S/c1-8-4-3-5-10(6-8)13-14-11(7-15)12(17-13)9(2)16/h3-6,15H,7H2,1-2H3
InChIKey YUHLKULKZKDCJK-UHFFFAOYSA-N
Mol Weight 247.31 g/mol
Molecular Formula C13H13NO2S
Exact Mass 247.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4mmC4AEuKBf
Name Ethanone, 1-[4-(hydroxymethyl)-2-(3-methylphenyl)-5-thiazolyl]-
CAS Registry Number 67387-04-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO2S
InChI InChI=1S/C13H13NO2S/c1-8-4-3-5-10(6-8)13-14-11(7-15)12(17-13)9(2)16/h3-6,15H,7H2,1-2H3
InChIKey YUHLKULKZKDCJK-UHFFFAOYSA-N
Molecular Weight 247.312 g/mol
SMILES OCc1nc(sc1C(=O)C)-c1cc(C)ccc1
SPLASH splash10-00kf-9540000000-0674515f2eb497d1b502
Source of Spectrum O-13-505-1
Synonyms 1-[4-(hydroxymethyl)-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanone 2-(3-Methylphenyl)-4-hydroxymethyl-5-acetyl-thiazole 2-(m-methylphenyl)-4-hydroxymethyl-5-acetylthiazole
Wiley ID 1249893