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

*Links on SpectraBase are not permalinks.
3H-3,8a-Ethano-1H-2-benzopyran-1-one, hexahydro-, (3.alpha.,4a.alpha.,8a.alpha.)-
SpectraBase Compound ID KxaEQxL2KKX
InChI InChI=1S/C11H16O2/c12-10-11-5-2-1-3-8(11)7-9(13-10)4-6-11/h8-9H,1-7H2/t8-,9-,11+/m0/s1
InChIKey OMZODNWDYOJLST-ATZCPNFKSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 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 NhDmxoyZM7
Name 3H-3,8a-Ethano-1H-2-benzopyran-1-one, hexahydro-, (3.alpha.,4a.alpha.,8a.alpha.)-
Alternate Name(s) 4a(2H)-Naphthalenecarboxylic acid, octahydro-2-hydroxy-, .delta.-lactone (1R,6S,8S)-9-oxatricyclo[6.2.2.0(1,6)]dodecan-10-one Tetracyclo[6.5.3.7.0.0]cyclohexano-cyclopentano-cycloporpano-2-oxa-cycloheptan-1-one
CAS Registry Number 104174-81-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c12-10-11-5-2-1-3-8(11)7-9(13-10)4-6-11/h8-9H,1-7H2/t8-,9-,11+/m0/s1
InChIKey OMZODNWDYOJLST-ATZCPNFKSA-N
Molecular Weight 180.247 g/mol
SMILES C1([C@@]23[C@](CCCC3)([H])C[C@@](O1)(CC2)[H])=O
SPLASH splash10-00np-9300000000-143489a8d1f1a132c3ab
Source of Spectrum F-46-6060-3
Wiley ID 1176551