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1,4-Methanopentalen-2(1H)-one, 3,3a,4,6a-tetrahydro-1-methyl-7-methylene-3-(1-methylethyl)-, (1.alpha.,3.alpha.,3a.beta.,4.alpha.,6a.beta.)-(.+-.)-
SpectraBase Compound ID H3BXMGF6wXa
InChI InChI=1S/C14H18O/c1-7(2)11-12-9-5-6-10(12)14(4,8(9)3)13(11)15/h5-7,9-12H,3H2,1-2,4H3/t9-,10-,11+,12+,14+/m0/s1
InChIKey DYZJWIIHIJDART-YCGPCKTQSA-N
Mol Weight 202.3 g/mol
Molecular Formula C14H18O
Exact Mass 202.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMPHWl93tlN
Name 1,4-Methanopentalen-2(1H)-one, 3,3a,4,6a-tetrahydro-1-methyl-7-methylene-3-(1-methylethyl)-, (1.alpha.,3.alpha.,3a.beta.,4.alpha.,6a.beta.)-(.+-.)-
CAS Registry Number 105048-92-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O
InChI InChI=1S/C14H18O/c1-7(2)11-12-9-5-6-10(12)14(4,8(9)3)13(11)15/h5-7,9-12H,3H2,1-2,4H3/t9-,10-,11+,12+,14+/m0/s1
InChIKey DYZJWIIHIJDART-YCGPCKTQSA-N
Molecular Weight 202.297 g/mol
SMILES [C@@]12(C([C@@]3([H])[C@@]([C@@]2(C=C3)[H])([H])[C@](C1=O)(C(C)C)[H])=C)C
SPLASH splash10-0k9w-2920000000-b4c2c7d54a55a49bf2e2
Source of Spectrum H-71-802-16
Synonyms (1R,3R,5R,6R,7S)-5-isopropyl-3-methyl-2-methylenetricyclo[4.3.0.0(3,7)]non-8-en-4-one (1RS,3RS,6SR,7RS,8SR)-8-isopropyl-1-methyl-2-methylidenetricyclo[4.3.0.0(3,7)]non-4-en-9-one
Wiley ID 1200280