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Abieta-7,13-dien-3-one
SpectraBase Compound ID 9PM8w55A8un
InChI InChI=1S/C20H30O/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(3,4)18(21)10-11-20(16,17)5/h7,12-13,16-17H,6,8-11H2,1-5H3/t16-,17-,20+/m0/s1
InChIKey BOPYLVIBVAFZAH-ABSDTBQOSA-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 Ipbl8ptzt4v
Name Abieta-7,13-dien-3-one
CAS Registry Number 29461-25-4
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/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(3,4)18(21)10-11-20(16,17)5/h7,12-13,16-17H,6,8-11H2,1-5H3/t16-,17-,20+/m0/s1
InChIKey BOPYLVIBVAFZAH-ABSDTBQOSA-N
Molecular Weight 286.459 g/mol
Nominal Mass 286 u
Number of Peaks 200
SMILES CC(C)C=1CC[C@@]2([C@@]3(C)CCC(=O)C(C)(C)[C@@]3(CC=C2C1)[H])[H]
SPLASH splash10-000f-7920000000-d7870c51a13853fc7624
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001415