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Eremophilone
SpectraBase Compound ID DA0qEfWB7n9
InChI InChI=1S/C15H22O/c1-10(2)12-8-14(16)13-7-5-6-11(3)15(13,4)9-12/h7,11-12H,1,5-6,8-9H2,2-4H3/t11-,12+,15+/m0/s1
InChIKey BSUGIIZTULADOL-YWPYICTPSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KTPscMLMhn
Name Eremophilone
CAS Registry Number 562-23-2
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 218.167065327 u
Formula C15H22O
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/C15H22O/c1-10(2)12-8-14(16)13-7-5-6-11(3)15(13,4)9-12/h7,11-12H,1,5-6,8-9H2,2-4H3/t11-,12+,15+/m0/s1
InChIKey BSUGIIZTULADOL-YWPYICTPSA-N
Molecular Weight 218.340 g/mol
Nominal Mass 218 u
Number of Peaks 128
SMILES [C@]12(C(=CCC[C@@]2(C)[H])C(C[C@](C1)(C(C)=C)[H])=O)C
SPLASH splash10-055f-7900000000-0e6a9e496e701a2e80e5
Source ex EREMOPHILLA MITCHELLII ex IAN SOUTHWELL
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000530