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Bicyclo[4.1.0]heptan-3-one, 2,4,4-trimethyl-2-(3-methyl-1,3-butadienyl)-, [1.alpha.,2.beta.(E),6.alpha.]-(.+-.)-
SpectraBase Compound ID FdLvmsnYIUe
InChI InChI=1S/C15H22O/c1-10(2)6-7-15(5)12-8-11(12)9-14(3,4)13(15)16/h6-7,11-12H,1,8-9H2,2-5H3/b7-6+/t11-,12-,15-/m1/s1
InChIKey BHJWBTVHOFGHAM-RIKMBOFFSA-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 F23zkMhvMQu
Name Bicyclo[4.1.0]heptan-3-one, 2,4,4-trimethyl-2-(3-methyl-1,3-butadienyl)-, [1.alpha.,2.beta.(E),6.alpha.]-(.+-.)-
CAS Registry Number 102635-58-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-10(2)6-7-15(5)12-8-11(12)9-14(3,4)13(15)16/h6-7,11-12H,1,8-9H2,2-5H3/b7-6+/t11-,12-,15-/m1/s1
InChIKey BHJWBTVHOFGHAM-RIKMBOFFSA-N
Molecular Weight 218.340 g/mol
SMILES [C@]12([C@](C(=O)C(C[C@@]2([H])C1)(C)C)(\C=C\C(=C)C)C)[H]
SPLASH splash10-052f-9700000000-773185c1e206cb592f54
Source of Spectrum H-68-1104-40
Synonyms (1R,2R,6R)-2,4,4-trimethyl-2-[(1E)-3-methyl-1,3-butadienyl]bicyclo[4.1.0]heptan-3-one (E,1RS,2RS,6RS)-2-(3'-methyl-1,3'-butadien-1-yl)-2,4,4-trimethylbicyclo[4.1.0]heptan-3-one
Wiley ID 1218324