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(3E)-3-benzal-5-methyl-tetrahydrofuran-2-one
SpectraBase Compound ID KusW3BG7ujs
InChI InChI=1S/C12H12O2/c1-9-7-11(12(13)14-9)8-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/b11-8+
InChIKey JZGQKCPTJCHLPF-DHZHZOJOSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6fDQWmOnx8g
Name (3E)-3-benzal-5-methyl-tetrahydrofuran-2-one
Alternate Name(s) (3E)-3-benzylidene-5-methyl-tetrahydrofuran-2-one (3E)-3-benzylidene-5-methyloxolan-2-one (3E)-5-methyl-3-(phenylmethylene)-2-oxolanone (3E)-5-methyl-3-(phenylmethylidene)oxolan-2-one
CAS Registry Number 72806-73-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2
InChI InChI=1S/C12H12O2/c1-9-7-11(12(13)14-9)8-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/b11-8+
InChIKey JZGQKCPTJCHLPF-DHZHZOJOSA-N
Molecular Weight 188.226 g/mol
SMILES C1(\C(CC(O1)C)=C\c1ccccc1)=O
SPLASH splash10-000i-0900000000-b23052d218f018fcc24d
Source of Spectrum F-43-5371-4
Wiley ID 1184913