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

*Links on SpectraBase are not permalinks.
(6S,7aS)-4,4,7a-trimethyl-6-oxidanyl-6,7-dihydro-5H-1-benzofuran-2-one
SpectraBase Compound ID 3fA7e4QiEjZ
InChI InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11-/m0/s1
InChIKey XEVQXKKKAVVSMW-CPCISQLKSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 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 Iy5Y91c5jZ8
Name (6S,7aS)-4,4,7a-trimethyl-6-oxidanyl-6,7-dihydro-5H-1-benzofuran-2-one
CAS Registry Number 38274-00-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11-/m0/s1
InChIKey XEVQXKKKAVVSMW-CPCISQLKSA-N
Molecular Weight 196.246 g/mol
SMILES O[C@]1(CC(C=2[C@@](OC(=O)C2)(C1)C)(C)C)[H]
SPLASH splash10-01r6-6900000000-dce90cbe4c11694b8ad4
Source of Spectrum SB-33-708-0
Synonyms (6S,7aS)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one (6S,7aS)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one Isololiolide
Wiley ID 1193110