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YBZYVRHAWKKYNO-UHFFFAOYSA-N
SpectraBase Compound ID 3YI0qmshoTk
InChI InChI=1S/C13H14O2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(14)15-11/h4-6,8-9H,2-3,7H2,1H3
InChIKey YBZYVRHAWKKYNO-UHFFFAOYSA-N
Mol Weight 202.25 g/mol
Molecular Formula C13H14O2
Exact Mass 202.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2bQQQIxn2X
Name 3-Butylisocoumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2
InChI InChI=1S/C13H14O2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(14)15-11/h4-6,8-9H,2-3,7H2,1H3
InChIKey YBZYVRHAWKKYNO-UHFFFAOYSA-N
Molecular Weight 202.253 g/mol
SMILES C1(=O)OC(=Cc2ccccc12)CCCC
SPLASH splash10-0udi-0890000000-86b1ecb09061534889c5
Source of Spectrum AN-105-788-3
Synonyms 3-Butyl-2-benzopyran-1-one 3-Butylisochromen-1-one
Wiley ID 747500