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(3RS,5RS)-3,8-dimethyl-5-(prop-1-en-2-yl)-3,3a,4,5,6,7-hexahydroazulen-1(2H)-one
SpectraBase Compound ID AbL27NNhsyd
InChI InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h11-13H,1,5-8H2,2-4H3/t11-,12-,13?/m1/s1
InChIKey CKTOECQMCPFOEU-ZNRZSNADSA-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 Bib9U3V20nr
Name (3RS,5RS)-3,8-dimethyl-5-(prop-1-en-2-yl)-3,3a,4,5,6,7-hexahydroazulen-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h11-13H,1,5-8H2,2-4H3/t11-,12-,13?/m1/s1
InChIKey CKTOECQMCPFOEU-ZNRZSNADSA-N
Instrument Name Agilent 7890A-5975C or Thermo Scientific Trace 1310-TSQ 8000 Evo
Ionization Type EI
Literature Reference DOI 10.1002/hlca.202000129
Molecular Weight 218.340 g/mol
Reported Formula C15H23O
SMILES C1CC(=C2C(C[C@@]1(C(C)=C)[H])[C@@](CC2=O)(C)[H])C
SPLASH splash10-0a4i-4910000000-4e71aa5ac6f80ba14da1
Source of Spectrum H-103-SM7-6a
Wiley ID 1856301