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(3E)-4-(1H-Isochromen-3-yl)but-3-en-2-one
SpectraBase Compound ID Ie4kDlHf7b5
InChI InChI=1S/C13H12O2/c1-10(14)6-7-13-8-11-4-2-3-5-12(11)9-15-13/h2-8H,9H2,1H3/b7-6+
InChIKey KSDKLFZTURTBRC-VOTSOKGWSA-N
Mol Weight 200.24 g/mol
Molecular Formula C13H12O2
Exact Mass 200.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6nxaXBY0mZ
Name (3E)-4-(1H-Isochromen-3-yl)but-3-en-2-one
Alternate Name(s) (E)-4-(1H-isochromen-3-yl)but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O2
InChI InChI=1S/C13H12O2/c1-10(14)6-7-13-8-11-4-2-3-5-12(11)9-15-13/h2-8H,9H2,1H3/b7-6+
InChIKey KSDKLFZTURTBRC-VOTSOKGWSA-N
Literature Reference DOI 10.1002/jccs.200600191
Molecular Weight 200.237 g/mol
SMILES CC(\C=C\C=1OCc2ccccc2C1)=O
SPLASH splash10-0fb9-3950000000-32aa9eded74e971acf7f
Source of Spectrum QA-53-1460-15aE
Wiley ID 1796243