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

*Links on SpectraBase are not permalinks.
cis-N-acetyl-2-(3,4-methylenedioxybenzyl)cyclohexylamine
SpectraBase Compound ID ClE3iXTL7f2
InChI InChI=1S/C16H21NO3/c1-11(18)17-14-5-3-2-4-13(14)8-12-6-7-15-16(9-12)20-10-19-15/h6-7,9,13-14H,2-5,8,10H2,1H3,(H,17,18)/t13-,14-/m0/s1
InChIKey NPSDUMYTGWCVIA-KBPBESRZSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 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 1DcQ6WwAOO
Name cis-N-acetyl-2-(3,4-methylenedioxybenzyl)cyclohexylamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-11(18)17-14-5-3-2-4-13(14)8-12-6-7-15-16(9-12)20-10-19-15/h6-7,9,13-14H,2-5,8,10H2,1H3,(H,17,18)/t13-,14-/m0/s1
InChIKey NPSDUMYTGWCVIA-KBPBESRZSA-N
Instrument Name VG ZAB 2F
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290070102
Molecular Weight 275.348 g/mol
SMILES N([C@@]1([C@@](CCCC1)(Cc1cc2c(cc1)OCO2)[H])[H])C(=O)C
SPLASH splash10-00kr-0970000000-1bdd4699c1bee2c01e59
Source of Spectrum RCM-7-2-8
Wiley ID 1835572