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Trans-3.beta.-(tetrahydropyranyloxy)-4,4,10.beta.-trimethyl-9-decalone

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

Trans-3.beta.-(tetrahydropyranyloxy)-4,4,10.beta.-trimethyl-9-decalone
SpectraBase Compound ID L9LutvlxCYI
InChI InChI=1S/C18H30O3/c1-17(2)13-7-6-8-14(19)18(13,3)11-10-15(17)21-16-9-4-5-12-20-16/h13,15-16H,4-12H2,1-3H3/t13-,15-,16?,18-/m0/s1
InChIKey PIDNRYYUODTDKV-VYDSJUIPSA-N
Mol Weight 294.44 g/mol
Molecular Formula C18H30O3
Exact Mass 294.219495 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6nKKYtposHE
Name Trans-3.beta.-(tetrahydropyranyloxy)-4,4,10.beta.-trimethyl-9-decalone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.219494823 u
Formula C18H30O3
InChI InChI=1S/C18H30O3/c1-17(2)13-7-6-8-14(19)18(13,3)11-10-15(17)21-16-9-4-5-12-20-16/h13,15-16H,4-12H2,1-3H3/t13-,15-,16?,18-/m0/s1
InChIKey PIDNRYYUODTDKV-VYDSJUIPSA-N
SMILES [C@@]12([C@](C(C)(C)[C@](CC2)(OC2OCCCC2)[H])(CCCC1=O)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935174