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

*Links on SpectraBase are not permalinks.
2,5-Cyclohexadiene-1,4-dione, 2-methoxy-3-(phenylthio)-
SpectraBase Compound ID 59RNWjmFv7U
InChI InChI=1S/C13H10O3S/c1-16-12-10(14)7-8-11(15)13(12)17-9-5-3-2-4-6-9/h2-8H,1H3
InChIKey OFTLJEYLGWHEMM-UHFFFAOYSA-N
Mol Weight 246.28 g/mol
Molecular Formula C13H10O3S
Exact Mass 246.035065 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 EzaghFlVHGs
Name 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-3-(phenylthio)-
Alternate Name(s) 2-Methoxy-3-(phenylsulfanyl)benzo-1,4-quinone 2-Methoxy-3-(phenylthio)-1,4-benzoquinone
CAS Registry Number 115319-80-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10O3S
InChI InChI=1S/C13H10O3S/c1-16-12-10(14)7-8-11(15)13(12)17-9-5-3-2-4-6-9/h2-8H,1H3
InChIKey OFTLJEYLGWHEMM-UHFFFAOYSA-N
Molecular Weight 246.280 g/mol
SMILES C1(=C(C(=O)C=CC1=O)OC)Sc1ccccc1
SPLASH splash10-0002-4490000000-2157893608bcb095334c
Source of Spectrum J-53-4273-7
Wiley ID 1248734