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(E)-4-(3,5,5-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-3-buten-2-one
SpectraBase Compound ID BejtJ3ELywf
InChI InChI=1S/C14H20O/c1-9(15)5-6-12-10(2)13-7-11(12)8-14(13,3)4/h5-6,11,13H,7-8H2,1-4H3/b6-5+/t11-,13-/m0/s1
InChIKey BHDPSBLPMCQJCX-ILBNWAPMSA-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 eAhaJN5NVs
Name (E)-4-(3,5,5-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)-3-buten-2-one
Alternate Name(s) (E)-4-(3,5,5-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)but-3-en-2-one
CAS Registry Number 79718-89-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O
InChI InChI=1S/C14H20O/c1-9(15)5-6-12-10(2)13-7-11(12)8-14(13,3)4/h5-6,11,13H,7-8H2,1-4H3/b6-5+/t11-,13-/m0/s1
InChIKey BHDPSBLPMCQJCX-ILBNWAPMSA-N
Molecular Weight 204.313 g/mol
SMILES C1(=C([C@@]2(C[C@]1(CC2(C)C)[H])[H])C)\C=C\C(=O)C
SPLASH splash10-0532-2900000000-6da3eb819406ac4eff74
Source of Spectrum H-64-1245-0
Wiley ID 1202296