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Thujopsanone<3-iso->
SpectraBase Compound ID k1G2NFXyNx
InChI InChI=1S/C15H24O/c1-10-11-8-15(11)13(2,3)6-5-7-14(15,4)9-12(10)16/h10-11H,5-9H2,1-4H3/t10-,11+,14+,15+/m1/s1
InChIKey LFWRAJWJODKLTN-PKIAMQTDSA-N
Mol Weight 220.36 g/mol
Molecular Formula C15H24O
Exact Mass 220.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFWWrUxRoqU
Name 3-iso-Thujopsanone
CAS Registry Number 25966-81-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O
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/C15H24O/c1-10-11-8-15(11)13(2,3)6-5-7-14(15,4)9-12(10)16/h10-11H,5-9H2,1-4H3/t10-,11+,14+,15+/m1/s1
InChIKey LFWRAJWJODKLTN-PKIAMQTDSA-N
Molecular Weight 220.356 g/mol
SMILES C1CC[C@@]2([C@]3(C1(C)C)[C@]([C@](C(C2)=O)(C)[H])(C3)[H])C
SPLASH splash10-074l-7900000000-836bf9b0cf11cea48eaf
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Thujopsanone<3-iso->
Wiley ID 1887088