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Butyl-3,4-methylenedioxy benzoate
SpectraBase Compound ID FeEtpRWrDU4
InChI InChI=1S/C12H14O4/c1-2-3-6-14-12(13)9-4-5-10-11(7-9)16-8-15-10/h4-5,7H,2-3,6,8H2,1H3
InChIKey XMLIMVGVGVNEHF-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 GYaTVwSaohk
Name 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/c1-2-3-6-14-12(13)9-4-5-10-11(7-9)16-8-15-10/h4-5,7H,2-3,6,8H2,1H3
InChIKey XMLIMVGVGVNEHF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 222.240 g/mol
Nominal Mass 222 u
Quality 988
Retention Index 1703
SMILES C1=2C(=CC=C(C2)C(OCCCC)=O)OCO1
SPLASH splash10-014i-3900000000-a5f30fffe5d42b8644b5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3,4-Methylenedioxybenzoate,butyl Butyl-1,3-benzodioxole-5-carboxylate
Technique GC/MS
Wiley ID DD2024_010349