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Benzyl (2R)-aziridine-2-carboxylate

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

Benzyl (2R)-aziridine-2-carboxylate
SpectraBase Compound ID Akff6GOGbA3
InChI InChI=1S/C10H11NO2/c12-10(9-6-11-9)13-7-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m1/s1
InChIKey DYTLUPYGICQKHJ-SECBINFHSA-N
Mol Weight 177.2 g/mol
Molecular Formula C10H11NO2
Exact Mass 177.078979 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 34BIStMKCXS
Name Benzyl (2R)-aziridine-2-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 177.078978596 u
Formula C10H11NO2
InChI InChI=1S/C10H11NO2/c12-10(9-6-11-9)13-7-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m1/s1
InChIKey DYTLUPYGICQKHJ-SECBINFHSA-N
Molecular Weight 177.203 g/mol
SMILES [C@@]1(NC1)(C(OCC=1C=CC=CC1)=O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964541