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(5RS,8RS)-3,8-dimethyl-5-(prop-1-en-2-yl)-4,5,6,7,8,8a-hexahydroazulen-1(3aH)-one
SpectraBase Compound ID KfyRLVQJh14
InChI InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h7,10,12-13,15H,1,5-6,8H2,2-4H3/t10-,12-,13?,15?/m1/s1
InChIKey YCRHQZDGPTXTKJ-DIDZHFRMSA-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 B41vh1oIZlQ
Name (5RS,8RS)-3,8-dimethyl-5-(prop-1-en-2-yl)-4,5,6,7,8,8a-hexahydroazulen-1(3aH)-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/h7,10,12-13,15H,1,5-6,8H2,2-4H3/t10-,12-,13?,15?/m1/s1
InChIKey YCRHQZDGPTXTKJ-DIDZHFRMSA-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
SMILES C1[C@@](C(=C)C)(CC2C([C@](C)(C1)[H])C(C=C2C)=O)[H]
SPLASH splash10-0lg1-4920000000-8ae4a0de2109dd2bac0d
Source of Spectrum H-103-SM27-21
Wiley ID 1856297