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(1S,6R)-3,7,7-TRIMETHYLBICYCLO-[4.1.0]-HEPT-3-EN-2-ONE;3-CAREN-2-ONE
SpectraBase Compound ID ICktSEy6rm6
InChI InChI=1S/C10H14O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h4,7-8H,5H2,1-3H3/t7-,8-/m0/s1
InChIKey SAFIHMIEMQFPDA-YUMQZZPRSA-N
Mol Weight 150.22 g/mol
Molecular Formula C10H14O
Exact Mass 150.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4CESexYxxg
Name Car-3-en-2-one
CAS Registry Number 53585-45-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C10H14O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h4,7-8H,5H2,1-3H3/t7-,8-/m0/s1
InChIKey SAFIHMIEMQFPDA-YUMQZZPRSA-N
Molecular Weight 150.221 g/mol
SMILES [C@@]12(C(C(=CC[C@@]2(C1(C)C)[H])C)=O)[H]
SPLASH splash10-0pdl-9600000000-ff082c03da92012e163b
Source ex IAN SOUTHWELL
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886014