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2-KETOMANOYLOXIDE
SpectraBase Compound ID 4BSTchUKgYz
InChI InChI=1S/C20H32O2/c1-7-18(4)10-8-16-19(5)13-14(21)12-17(2,3)15(19)9-11-20(16,6)22-18/h7,15-16H,1,8-13H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1
InChIKey VYNOMUZYZAXYKN-HHUCQEJWSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HlKwZ0ez0EH
Name Manool oxide<2-keto->
CAS Registry Number 1231-34-1
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 304.240230268 u
Formula C20H32O2
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/C20H32O2/c1-7-18(4)10-8-16-19(5)13-14(21)12-17(2,3)15(19)9-11-20(16,6)22-18/h7,15-16H,1,8-13H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1
InChIKey VYNOMUZYZAXYKN-HHUCQEJWSA-N
Molecular Weight 304.474 g/mol
Nominal Mass 304 u
Number of Peaks 245
SMILES C[C@@]12[C@@]3([C@](C)(O[C@](CC3)(C=C)C)CC[C@]1(C(C)(C)CC(C2)=O)[H])[H]
SPLASH splash10-0a4u-9760000000-87aed0984e8a96cd8638
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000879