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(4S)-1-oxidanidyl-N,N-bis(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-4-amine

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(4S)-1-oxidanidyl-N,N-bis(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-4-amine
SpectraBase Compound ID 1Lca7Il03Zz
InChI InChI=1S/C18H20N2O/c21-20-12-11-18(15-20)19(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-10,15,18H,11-14H2/t18-/m0/s1
InChIKey GTCKUIJCTXDMSC-SFHVURJKSA-N
Mol Weight 280.37 g/mol
Molecular Formula C18H20N2O
Exact Mass 280.157563 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1AF8arnoiYN
Name (4S)-1-Oxidanidyl-N,N-bis(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-4-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.157563271 u
Formula C18H20N2O
InChI InChI=1S/C18H20N2O/c21-20-12-11-18(15-20)19(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-10,15,18H,11-14H2/t18-/m0/s1
InChIKey GTCKUIJCTXDMSC-SFHVURJKSA-N
SMILES C1=[N+](CC[C@@]1(N(CC=1C=CC=CC1)CC=1C=CC=CC1)[H])[O-]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976016