For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
BA 2PE
SpectraBase Compound ID 8G5JVZsq5zo
InChI InChI=1S/C27H41NO3/c1-5-7-12-17-28(18-13-8-6-2)19-16-24-20-25(29-3)27(26(21-24)30-4)31-22-23-14-10-9-11-15-23/h9-11,14-15,20-21H,5-8,12-13,16-19,22H2,1-4H3
InChIKey FVFVVAOUUSRKAU-UHFFFAOYSA-N
Mol Weight 427.6 g/mol
Molecular Formula C27H41NO3
Exact Mass 427.308644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8Jo5VwURnoO
Name BA 2PE
Classification Phenethylamine designer drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 427.308644181 u
Formula C27H41NO3
InChI InChI=1S/C27H41NO3/c1-5-7-12-17-28(18-13-8-6-2)19-16-24-20-25(29-3)27(26(21-24)30-4)31-22-23-14-10-9-11-15-23/h9-11,14-15,20-21H,5-8,12-13,16-19,22H2,1-4H3
InChIKey FVFVVAOUUSRKAU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 427.629 g/mol
Nominal Mass 427 u
Quality 993
Retention Index 2954
SMILES C1(=C(C=C(C=C1OC)CCN(CCCCC)CCCCC)OC)OCC1=CC=CC=C1
SPLASH splash10-00di-3900000000-3a7100e36a79432e1d02
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N,N-Dipentyl-4-benzyloxy-3,5-dimethoxyphenethylamine N-(2-(4-(benzyloxy)-3,5-dimethoxyphenyl)ethyl)-N-pentylpentan-1-amine
Technique GC/MS
Wiley ID DD2024_016408