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(3E)-6-(3-Isopropenyl-1-cyclopropen-1-yl)-6-methyl-3-hepten-2-one
SpectraBase Compound ID 753cQEumi1J
InChI InChI=1S/C14H20O/c1-10(2)12-9-13(12)14(4,5)8-6-7-11(3)15/h6-7,9,12H,1,8H2,2-5H3/b7-6+
InChIKey OIJYVEHMTDMTIH-VOTSOKGWSA-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 9ck5TmoyoLn
Name (3E)-6-(3-Isopropenyl-1-cyclopropen-1-yl)-6-methyl-3-hepten-2-one
CAS Registry Number 77822-42-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O
InChI InChI=1S/C14H20O/c1-10(2)12-9-13(12)14(4,5)8-6-7-11(3)15/h6-7,9,12H,1,8H2,2-5H3/b7-6+
InChIKey OIJYVEHMTDMTIH-VOTSOKGWSA-N
Molecular Weight 204.313 g/mol
SMILES C1(=CC1C(C)=C)C(C)(C)C\C=C\C(=O)C
SPLASH splash10-05fu-5900000000-8040f9bd699c0a9a9003
Source of Spectrum H-64-223-0
Synonyms (E)-6-(3-isopropenylcyclopropen-1-yl)-6-methyl-hept-3-en-2-one (E)-6-methyl-6-(3-prop-1-en-2-ylcyclopropen-1-yl)hept-3-en-2-one (E)-6-methyl-6-[3-(1-methylethenyl)-1-cyclopropenyl]-3-hepten-2-one
Wiley ID 1202242