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Isophyllocladene
SpectraBase Compound ID GLriYuB0YaT
InChI InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3/t15-,16+,17-,19+,20-/m1/s1
InChIKey DQUHDYWUEKWRLN-FPPGBKCQSA-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 KaNxpIgDpGE
Name Isophyllocladene
CAS Registry Number 511-85-3
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/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3/t15-,16+,17-,19+,20-/m1/s1
InChIKey DQUHDYWUEKWRLN-FPPGBKCQSA-N
Molecular Weight 272.476 g/mol
Nominal Mass 272 u
Number of Peaks 164
SMILES [C@@]12([H])C(CCC[C@@]2([C@@]2([H])CC[C@]3(C(C)=C[C@]2(CC1)C3)[H])C)(C)C
SPLASH splash10-05fu-5920000000-5cfe525fce04a425b5ac
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000770