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Rosa-5,15-diene

View entire compound with spectra: 2 MS (GC)

Rosa-5,15-diene<ent->
SpectraBase Compound ID 4lx2S31Kspn
InChI InChI=1S/C20H32/c1-6-19(4)12-13-20(5)15(14-19)9-10-16-17(20)8-7-11-18(16,2)3/h6,10,15,17H,1,7-9,11-14H2,2-5H3/t15-,17-,19-,20-/m0/s1
InChIKey BAIWMJSLFJWAQP-UHMOLFJZSA-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 B6ZfxM6cqhR
Name Rosa-5,15-diene
CAS Registry Number 78821-30-4
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/c1-6-19(4)12-13-20(5)15(14-19)9-10-16-17(20)8-7-11-18(16,2)3/h6,10,15,17H,1,7-9,11-14H2,2-5H3/t15-,17-,19-,20-/m0/s1
InChIKey BAIWMJSLFJWAQP-UHMOLFJZSA-N
Molecular Weight 272.476 g/mol
Nominal Mass 272 u
Number of Peaks 203
SMILES C1CC(C=2[C@](C1)([C@@]1([C@@](CC2)(C[C@@](CC1)(C)C=C)[H])C)[H])(C)C
SPLASH splash10-0a5c-9620000000-c5f4655821f5dded7dba
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001194