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4,5-METHYLENEDIOXY-2-(2-OXO-PENTYL)-BENZOIC-ACID
SpectraBase Compound ID 8Lck8kDLv2G
InChI InChI=1S/C13H14O5/c1-2-3-9(14)4-8-5-11-12(18-7-17-11)6-10(8)13(15)16/h5-6H,2-4,7H2,1H3,(H,15,16)
InChIKey DLOOKDRHBJTYBM-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AUqsUK0XhN9
Name 6-(2-ketopentyl)-piperonylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-2-3-9(14)4-8-5-11-12(18-7-17-11)6-10(8)13(15)16/h5-6H,2-4,7H2,1H3,(H,15,16)
InChIKey DLOOKDRHBJTYBM-UHFFFAOYSA-N
Molecular Weight 250.250 g/mol
SMILES OC(c1c(cc2c(c1)OCO2)CC(=O)CCC)=O
SPLASH splash10-001i-0970000000-8900c6424a5900d005c8
Source of Spectrum Y-40-339-3
Synonyms 6-(2-oxidanylidenepentyl)-1,3-benzodioxole-5-carboxylic acid 6-(2-oxopentyl)-1,3-benzodioxole-5-carboxylic acid
Wiley ID 1567110