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3-Thujopsanone
SpectraBase Compound ID IIClfd1H5vP
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-/m0/s1
InChIKey LFWRAJWJODKLTN-GVARAGBVSA-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 2tRfW9irolg
Name 3-Thujopsanone
CAS Registry Number 25966-79-4
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-/m0/s1
InChIKey LFWRAJWJODKLTN-GVARAGBVSA-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 splash10-05fu-8900000000-c3a6c5c8905a615fdaa4
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Thujopsanone<3->
Wiley ID 1887087