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13-epi-Dolabradiene
SpectraBase Compound ID 2J1WXQfVm5g
InChI InChI=1S/C20H32/c1-6-18(3)12-13-20(5)16(14-18)10-11-19(4)15(2)8-7-9-17(19)20/h6,16-17H,1-2,7-14H2,3-5H3/t16-,17-,18-,19-,20-/m1/s1
InChIKey GHYZJFFJSPZRIU-LASHMREHSA-N
Mol Weight 272.5 g/mol
Molecular Formula C20H32
Exact Mass 272.250401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ij4yrLQj6ri
Name Dolabradiene<13-epi->
CAS Registry Number 134507-28-1
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 272.250401030 u
Formula C20H32
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/C20H32/c1-6-18(3)12-13-20(5)16(14-18)10-11-19(4)15(2)8-7-9-17(19)20/h6,16-17H,1-2,7-14H2,3-5H3/t16-,17-,18-,19-,20-/m1/s1
InChIKey GHYZJFFJSPZRIU-LASHMREHSA-N
Molecular Weight 272.476 g/mol
Nominal Mass 272 u
Number of Peaks 191
SMILES C1CC([C@@]2([C@@](C1)([C@]1([C@](CC2)(C[C@@](CC1)(C=C)C)[H])C)[H])C)=C
SPLASH splash10-052f-9820000000-a8ea06c0a5596d3f3082
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000501