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trans-N-acetyl-2-(3,4-methylenedioxybenzyl)cyclohexylamine
SpectraBase Compound ID CjzEgi6gh3y
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+/m1/s1
InChIKey NPSDUMYTGWCVIA-KGLIPLIRSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EwrdUdpOrGy
Name trans-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+/m1/s1
InChIKey NPSDUMYTGWCVIA-KGLIPLIRSA-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-0980000000-78ef533000b01189d34e
Source of Spectrum RCM-7-2-7
Wiley ID 1835571