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(2-Hexyl)-3,4-methylenedioxy benzoate
SpectraBase Compound ID 4g0iyVLig8A
InChI InChI=1S/C14H18O4/c1-3-4-5-10(2)18-14(15)11-6-7-12-13(8-11)17-9-16-12/h6-8,10H,3-5,9H2,1-2H3
InChIKey CILSWQUAKCXASK-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YA929a6BvM
Name (2-Hexyl)-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 250.120509056 u
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-3-4-5-10(2)18-14(15)11-6-7-12-13(8-11)17-9-16-12/h6-8,10H,3-5,9H2,1-2H3
InChIKey CILSWQUAKCXASK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 250.294 g/mol
Nominal Mass 250 u
Quality 993
Retention Index 1840
SMILES C1=2C(=CC=C(C2)C(OC(CCCC)C)=O)OCO1
SPLASH splash10-014i-7900000000-c677643c86281d945fe4
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Hex-2-yl-3,4-methylenedioxy benzoate 1-Methylpentyl 3,4-methylenedioxy benzoate
Technique GC/MS
Wiley ID DD2024_010363