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Crotonophenone, 2',5'-dimethyl-
SpectraBase Compound ID 3IlLVKk3uHt
InChI InChI=1S/C12H14O/c1-4-5-12(13)11-8-9(2)6-7-10(11)3/h4-8H,1-3H3/b5-4+
InChIKey QQXCFWMNVWQGQX-SNAWJCMRSA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gw8uIMXF4Os
Name Crotonophenone, 2',5'-dimethyl-
CAS Registry Number 15561-15-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O
InChI InChI=1S/C12H14O/c1-4-5-12(13)11-8-9(2)6-7-10(11)3/h4-8H,1-3H3/b5-4+
InChIKey QQXCFWMNVWQGQX-SNAWJCMRSA-N
Molecular Weight 174.243 g/mol
SMILES C\C=C\C(=O)c1c(C)ccc(C)c1
SPLASH splash10-0a4i-6900000000-3b0b2584be7615ed11c6
Source of Spectrum EP-3983-0-0
Synonyms (2E)-1-(2,5-Dimethylphenyl)-2-buten-1-one (E)-1-(2,5-dimethylphenyl)but-2-en-1-one (E)-1-(2,5-dimethylphenyl)-2-buten-1-one 2',5'-Dimethylcrotonophenone
Wiley ID 1170958