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4-epi-Abietal
SpectraBase Compound ID 9kUiuuPtpI8
InChI InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12-14,17-18H,5-6,8-11H2,1-4H3/t17-,18-,19+,20+/m0/s1
InChIKey HOFSYSONRIGEAC-VNTMZGSJSA-N
Mol Weight 286.46 g/mol
Molecular Formula C20H30O
Exact Mass 286.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vq18toTWhR
Name Abietal<4-epi->
CAS Registry Number 34223-60-4
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 286.229665585 u
Formula C20H30O
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/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12-14,17-18H,5-6,8-11H2,1-4H3/t17-,18-,19+,20+/m0/s1
InChIKey HOFSYSONRIGEAC-VNTMZGSJSA-N
Molecular Weight 286.459 g/mol
Nominal Mass 286 u
Number of Peaks 228
SMILES C1C[C@]([C@]2([C@](C1)([C@@]1(C(=CC2)C=C(CC1)C(C)C)[H])C)[H])(C)C=O
SPLASH splash10-001c-3930000000-138c14934215b3a6bec4
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000006