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1H-Cyclopentacyclooctene-5-methanol, 2,3,3a,4,5,6,9,9a-octahydro-9a-hydroxy-3,5,8-trimethyl-, .alpha.-acetate, (3.alpha.,3a.alpha.,5.beta.,9a.beta.)-(.+-.)-

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

1H-Cyclopentacyclooctene-5-methanol, 2,3,3a,4,5,6,9,9a-octahydro-9a-hydroxy-3,5,8-trimethyl-, .alpha.-acetate, (3.alpha.,3a.alpha.,5.beta.,9a.beta.)-(.+-.)-
SpectraBase Compound ID LF0MEFEJw4Y
InChI InChI=1S/C17H28O3/c1-12-5-7-16(4,11-20-14(3)18)10-15-13(2)6-8-17(15,19)9-12/h5,13,15,19H,6-11H2,1-4H3/b12-5-/t13-,15+,16-,17+/m1/s1
InChIKey HNHGFTJADYPXLN-LBQQNPRWSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AwvuasTmw
Name 1H-Cyclopentacyclooctene-5-methanol, 2,3,3A,4,5,6,9,9A-octahydro-9A-hydroxy-3,5,8-trimethyl-, .alpha.-acetate, (3.alpha.,3A.alpha.,5.beta.,9A.beta.)-(.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.203844759 u
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-12-5-7-16(4,11-20-14(3)18)10-15-13(2)6-8-17(15,19)9-12/h5,13,15,19H,6-11H2,1-4H3/b12-5-/t13-,15+,16-,17+/m1/s1
InChIKey HNHGFTJADYPXLN-LBQQNPRWSA-N
SMILES [C@]12([C@@](C[C@@](COC(=O)C)(C)C\C=C/(C2)C)([C@](C)(CC1)[H])[H])O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85454