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6(1H)-Azulenone, 1,4-bis(acetyloxy)octahydro-1,4-dimethyl-7-(1-methylethylidene)-, (1.alpha.,3a.alpha.,4.alpha.,8a.alpha.)-(.+-.)-

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

6(1H)-Azulenone, 1,4-bis(acetyloxy)octahydro-1,4-dimethyl-7-(1-methylethylidene)-, (1.alpha.,3a.alpha.,4.alpha.,8a.alpha.)-(.+-.)-
SpectraBase Compound ID LLUoUvlfzK8
InChI InChI=1S/C19H28O5/c1-11(2)15-9-14(22)10-19(6,24-13(4)21)16-7-8-18(5,17(15)16)23-12(3)20/h16-17H,7-10H2,1-6H3
InChIKey OWALYPWQSQWRFT-UHFFFAOYSA-N
Mol Weight 336.43 g/mol
Molecular Formula C19H28O5
Exact Mass 336.193674 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2SaYDkdwxRu
Name 6(1H)-Azulenone, 1,4-bis(acetyloxy)octahydro-1,4-dimethyl-7-(1-methylethylidene)-, (1.alpha.,3A.alpha.,4.alpha.,8A.alpha.)-(.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.193673997 u
Formula C19H28O5
InChI InChI=1S/C19H28O5/c1-11(2)15-9-14(22)10-19(6,24-13(4)21)16-7-8-18(5,17(15)16)23-12(3)20/h16-17H,7-10H2,1-6H3
InChIKey OWALYPWQSQWRFT-UHFFFAOYSA-N
Molecular Weight 336.428 g/mol
SMILES C1(C2C(OC(=O)C)(CCC2C(OC(=O)C)(C)CC(C1)=O)C)=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.805818