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Isopentyl-3,4-methylenedioxy benzoate
SpectraBase Compound ID KpwKyH26qi0
InChI InChI=1S/C13H16O4/c1-9(2)5-6-15-13(14)10-3-4-11-12(7-10)17-8-16-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKey YQVLGGFNGFAGEX-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Hpbyt94ABU
Name Isopentyl-3,4-methylenedioxy benzoate
Classification Designer drug side product
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 236.104858991 u
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-9(2)5-6-15-13(14)10-3-4-11-12(7-10)17-8-16-11/h3-4,7,9H,5-6,8H2,1-2H3
InChIKey YQVLGGFNGFAGEX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 236.267 g/mol
Nominal Mass 236 u
Quality 993
Retention Index 1792
SMILES C1=2C(=CC=C(C2)C(OCCC(C)C)=O)OCO1
SPLASH splash10-014i-4900000000-5fd75b21aec158f6c8a0
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-Methylbutyl 3,4-methylenedioxy benzoate
Technique GC/MS
Wiley ID DD2024_010354