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8,15-DIHYDROXY-13E-LABDANE
SpectraBase Compound ID BuetvdIbJ7g
InChI InChI=1S/C20H36O2/c1-15(10-14-21)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)22/h10,16-17,21-22H,6-9,11-14H2,1-5H3/b15-10+/t16-,17+,19-,20+/m0/s1
InChIKey LEOHDQKUMQKLMP-NUKBDRAPSA-N
Mol Weight 308.5 g/mol
Molecular Formula C20H36O2
Exact Mass 308.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L29I9moyxXa
Name Labd-13E-8,15-diol
CAS Registry Number 10267-31-9
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 308.271530397 u
Formula C20H36O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C20H36O2/c1-15(10-14-21)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)22/h10,16-17,21-22H,6-9,11-14H2,1-5H3/b15-10+/t16-,17+,19-,20+/m0/s1
InChIKey LEOHDQKUMQKLMP-NUKBDRAPSA-N
Molecular Weight 308.506 g/mol
Nominal Mass 308 u
Number of Peaks 184
SMILES O[C@]1([C@](CC\C(=C\CO)C)([C@]2(CCCC([C@@]2(CC1)[H])(C)C)C)[H])C
SPLASH splash10-0006-9500000000-b445b62cfc98fc7d111a
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000824