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3-Buten-2-one, 4-(2,4,4-trimethylbicyclo[4.1.0]hept-2-en-3-yl)-, (E)-
SpectraBase Compound ID 1b29XtmwAl
InChI InChI=1S/C14H20O/c1-9(15)5-6-13-10(2)12-7-11(12)8-14(13,3)4/h5-6,11-12H,7-8H2,1-4H3/b6-5+
InChIKey HGBOMBNSPKXNSA-AATRIKPKSA-N
Mol Weight 204.31 g/mol
Molecular Formula C14H20O
Exact Mass 204.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpczVLO2lER
Name 3-Buten-2-one, 4-(2,4,4-trimethylbicyclo[4.1.0]hept-2-en-3-yl)-, (E)-
Alternate Name(s) (E)-4-(3,3,5-trimethyl-4-bicyclo[4.1.0]hept-4-enyl)-3-buten-2-one (E)-4-(3,3,5-trimethyl-4-bicyclo[4.1.0]hept-4-enyl)but-3-en-2-one
CAS Registry Number 79718-73-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O
InChI InChI=1S/C14H20O/c1-9(15)5-6-13-10(2)12-7-11(12)8-14(13,3)4/h5-6,11-12H,7-8H2,1-4H3/b6-5+
InChIKey HGBOMBNSPKXNSA-AATRIKPKSA-N
Molecular Weight 204.313 g/mol
SMILES C12C(CC(C(=C2C)\C=C\C(=O)C)(C)C)C1
SPLASH splash10-000l-3900000000-fe0ba6e31ad478f8e9b2
Source of Spectrum H-64-1241-0
Wiley ID 1202277