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

*Links on SpectraBase are not permalinks.

Pseudococaine

View entire compound with spectra: 3 MS (GC)

Pseudococaine
SpectraBase Compound ID FAnESV2e3fi
InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15-/m0/s1
InChIKey ZPUCINDJVBIVPJ-WUCCLRPBSA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 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 10eBEEfdJLL
Name Pseudococaine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4
InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15-/m0/s1
InChIKey ZPUCINDJVBIVPJ-WUCCLRPBSA-N
Molecular Weight 303.358 g/mol
SMILES [C@@]1([C@](C[C@]2(N([C@@]1(CC2)[H])C)[H])(OC(c1ccccc1)=O)[H])(C(OC)=O)[H]
SPLASH splash10-001i-9400000000-53665cb4d784b24ed1c1
Source of Spectrum SWG-33-2015-0
Synonyms Methyl (1R,2S,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate Methyl (1R,2SR,3SR,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Wiley ID 1809480