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(2-Butyl)-3,4-methylenedioxy benzoate
SpectraBase Compound ID BLqCyIE6NYe
InChI InChI=1S/C12H14O4/c1-3-8(2)16-12(13)9-4-5-10-11(6-9)15-7-14-10/h4-6,8H,3,7H2,1-2H3
InChIKey ZGINSRJGLSCDEV-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XlZ1GUHhY0
Name (2-Butyl)-3,4-methylenedioxy benzoate
Classification Designer drug side product
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 222.089208927 u
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-3-8(2)16-12(13)9-4-5-10-11(6-9)15-7-14-10/h4-6,8H,3,7H2,1-2H3
InChIKey ZGINSRJGLSCDEV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 222.240 g/mol
Nominal Mass 222 u
Quality 993
Retention Index 1652
SMILES C1=2C(=CC=C(C2)C(OC(CC)C)=O)OCO1
SPLASH splash10-014i-5900000000-9574d71d2c22437a941b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms But-2-yl-3,4-methylenedioxy benzoate 1-Methylpropyl 3,4-methylenedioxy benzoate
Technique GC/MS
Wiley ID DD2024_014910