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IZHBYIAZXCYIMS-UHFFFAOYSA-N
SpectraBase Compound ID Dx3sHwYXRRY
InChI InChI=1S/C7H12O/c1-5(2)6(3)7(4)8/h1-4H3
InChIKey IZHBYIAZXCYIMS-UHFFFAOYSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ScAaf61VFb
Name 3-Penten-2-one, 3,4-dimethyl-
CAS Registry Number 684-94-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O
InChI InChI=1S/C7H12O/c1-5(2)6(3)7(4)8/h1-4H3
InChIKey IZHBYIAZXCYIMS-UHFFFAOYSA-N
Molecular Weight 112.172 g/mol
SMILES C(=C(C)C)(C(C)=O)C
SPLASH splash10-0296-9200000000-508db57d7a7270ef5cb2
Source of Spectrum J-40-14-67
Synonyms 3,4-Dimethyl-3-penten-2-one 3,4-Dimethyl-3-pentene-2-one 3,4-Dimethylpent-3-en-2-one
Wiley ID 1123328