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

*Links on SpectraBase are not permalinks.

(3S,3aR,5aR,9aR,9bR)-3-isopropyl-5a,9b-dimethyl-1,2,3,3a,4,5,6,7,9,9a-decahydrobenz[e]inden-8-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(3S,3aR,5aR,9aR,9bR)-3-isopropyl-5a,9b-dimethyl-1,2,3,3a,4,5,6,7,9,9a-decahydrobenz[e]inden-8-one
SpectraBase Compound ID 5ISLs1w0OYG
InChI InChI=1S/C18H30O/c1-12(2)14-6-10-18(4)15(14)7-9-17(3)8-5-13(19)11-16(17)18/h12,14-16H,5-11H2,1-4H3/t14-,15+,16+,17-,18+/m0/s1
InChIKey URZVLQLENXAIQQ-OBVSXPTNSA-N
Mol Weight 262.44 g/mol
Molecular Formula C18H30O
Exact Mass 262.229666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Ebgt5aT2Q5I
Name (3S,3ar,5ar,9ar,9br)-3-Isopropyl-5A,9B-dimethyl-1,2,3,3A,4,5,6,7,9,9A-decahydrobenz[E]inden-8-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.229665585 u
Formula C18H30O
InChI InChI=1S/C18H30O/c1-12(2)14-6-10-18(4)15(14)7-9-17(3)8-5-13(19)11-16(17)18/h12,14-16H,5-11H2,1-4H3/t14-,15+,16+,17-,18+/m0/s1
InChIKey URZVLQLENXAIQQ-OBVSXPTNSA-N
Molecular Weight 262.437 g/mol
SMILES [C@]12([C@@]([C@](C(C)C)(CC2)[H])(CC[C@]2([C@]1(CC(=O)CC2)[H])C)[H])C