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

*Links on SpectraBase are not permalinks.
1H-Indene-1,7(4H)-dione, 2,3,3a,7a-tetrahydro-7a-methyl-5-(phenylthio)-, cis-
SpectraBase Compound ID H21PjmhVO1u
InChI InChI=1S/C16H16O2S/c1-16-11(7-8-14(16)17)9-13(10-15(16)18)19-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/t11-,16+/m0/s1
InChIKey MJPABHXPNXAJDL-MEDUHNTESA-N
Mol Weight 272.36 g/mol
Molecular Formula C16H16O2S
Exact Mass 272.087101 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 9SR0ijGWoiu
Name 1H-Indene-1,7(4H)-dione, 2,3,3a,7a-tetrahydro-7a-methyl-5-(phenylthio)-, cis-
Alternate Name(s) (3aS,7aR)-7a-methyl-5-(phenylsulfanyl)-2,3,3a,7a-tetrahydro-1H-indene-1,7(4H)-dione 5-Phenylthio-7a-methyl-cis-2,3,3a,4,7,7a(1H)-hexahydroinden-1,7-dione cis-5-(phenylthio)-1,7-dioxo-2,3,3a,4,7,7a-hexahydro-7a-methyl-1H-indene
CAS Registry Number 121289-31-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O2S
InChI InChI=1S/C16H16O2S/c1-16-11(7-8-14(16)17)9-13(10-15(16)18)19-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3/t11-,16+/m0/s1
InChIKey MJPABHXPNXAJDL-MEDUHNTESA-N
Molecular Weight 272.362 g/mol
SMILES [C@@]12(C(C=C(C[C@@]2(CCC1=O)[H])Sc1ccccc1)=O)C
SPLASH splash10-0171-9720000000-16d032694f121a92cba2
Source of Spectrum J-54-3244-0
Wiley ID 1276224