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

*Links on SpectraBase are not permalinks.

5-Methylsulfanylmethyl-benzofuran-2-carboxylic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-Methylsulfanylmethyl-benzofuran-2-carboxylic acid
SpectraBase Compound ID 37gmpUFaGhU
InChI InChI=1S/C11H10O3S/c1-15-6-7-2-3-9-8(4-7)5-10(14-9)11(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey HKZRIEZNQUUICN-UHFFFAOYSA-N
Mol Weight 222.26 g/mol
Molecular Formula C11H10O3S
Exact Mass 222.035065 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 E44CIrT0QLq
Name 5-Methylsulfanylmethyl-benzofuran-2-carboxylic acid
Alternate Name(s) 5-(methylsulfanylmethyl)-1-benzofuran-2-carboxylic acid 5-[(methylthio)methyl]-2-benzofurancarboxylic acid 5-[(methylthio)methyl]coumarilic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10O3S
InChI InChI=1S/C11H10O3S/c1-15-6-7-2-3-9-8(4-7)5-10(14-9)11(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey HKZRIEZNQUUICN-UHFFFAOYSA-N
Molecular Weight 222.258 g/mol
SMILES OC(c1oc2ccc(cc2c1)CSC)=O
SPLASH splash10-004i-3910000000-83249eb82ef471f04504
Wiley ID 1464428