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

*Links on SpectraBase are not permalinks.
acetic acid (4-ketothiochroman-3-yl) ester
SpectraBase Compound ID CMCBg9A3shS
InChI InChI=1S/C11H10O3S/c1-7(12)14-9-6-15-10-5-3-2-4-8(10)11(9)13/h2-5,9H,6H2,1H3
InChIKey QYHJSBVOQFTRQR-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 DYUsytzpcVU
Name 4H-1-Benzothiopyran-4-one, 3-(acetyloxy)-2,3-dihydro-
CAS Registry Number 55444-15-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10O3S
InChI InChI=1S/C11H10O3S/c1-7(12)14-9-6-15-10-5-3-2-4-8(10)11(9)13/h2-5,9H,6H2,1H3
InChIKey QYHJSBVOQFTRQR-UHFFFAOYSA-N
Molecular Weight 222.258 g/mol
SMILES C1(c2c(cccc2)SCC1OC(=O)C)=O
SPLASH splash10-01p9-0910000000-632c873d5affd7ce9a50
Source of Spectrum C-97-1912-0
Synonyms (4-oxidanylidene-2,3-dihydrothiochromen-3-yl) ethanoate (4-oxo-2,3-dihydrothiochromen-3-yl) acetate (4-oxothiochroman-3-yl) acetate Acetic acid (4-ketothiochroman-3-yl) ester Acetic acid (4-oxo-2,3-dihydro-1-benzothiopyran-3-yl) ester
Wiley ID 1221965