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2,4,4-trimethyl-3-(3-oxobut-1-enyl)cyclo-hexan-1-ol
SpectraBase Compound ID Htd5baONsaD
InChI InChI=1S/C13H22O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6,10-12,15H,7-8H2,1-4H3
InChIKey HUHJWBVURMWKKN-UHFFFAOYSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gRRdKOKZmO
Name 2,4,4-trimethyl-3-(3-oxobut-1-enyl)cyclo-hexan-1-ol
Carrier Gas Helium (75 kPa) (2.5 ml/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.161979946 u
Formula C13H22O2
GC Column DB-Wax or DB-1 or DB-210 (30 m x 0.32 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 200oC
InChI InChI=1S/C13H22O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-6,10-12,15H,7-8H2,1-4H3
InChIKey HUHJWBVURMWKKN-UHFFFAOYSA-N
Inlet Type Split (1:24)
Instrument Name Shimadzu GC 14A
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240141118
Molecular Weight 210.317 g/mol
Quality 27
SMILES OC1C(C)C(C(CC1)(C)C)C=CC(C)=O
SPLASH splash10-0002-0920000000-f734628f2535a7d9826c
Source of Spectrum HRC-14-774-35 (DOI: 10.1002/jhrc.1240141118)
Wiley ID 1910738