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(4aS,6S,8aS)-6,8a-dimethyl-5-methylene-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-one

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

(4aS,6S,8aS)-6,8a-dimethyl-5-methylene-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-one
SpectraBase Compound ID 2mDpiDqJcVc
InChI InChI=1S/C13H20O/c1-9-7-8-13(3)11(10(9)2)5-4-6-12(13)14/h9,11H,2,4-8H2,1,3H3/t9-,11-,13-/m0/s1
InChIKey USLLTHKBAVKYNI-GAFUQQFSSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4u0N6sfbDkR
Name (4as,6S,8as)-6,8A-Dimethyl-5-methylene-3,4,4A,6,7,8-hexahydro-2H-naphthalen-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 192.151415263 u
Formula C13H20O
InChI InChI=1S/C13H20O/c1-9-7-8-13(3)11(10(9)2)5-4-6-12(13)14/h9,11H,2,4-8H2,1,3H3/t9-,11-,13-/m0/s1
InChIKey USLLTHKBAVKYNI-GAFUQQFSSA-N
Molecular Weight 192.302 g/mol
SMILES [C@@]12([C@](C(=C)[C@](CC2)(C)[H])(CCCC1=O)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976616