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(R)-(+)-2-benzyloxycarbonylaminopropyl acetate

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

(R)-(+)-2-benzyloxycarbonylaminopropyl acetate
SpectraBase Compound ID 2PqwnjGoIHd
InChI InChI=1S/C13H17NO4/c1-10(8-17-11(2)15)14-13(16)18-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKey DUMCOMSITHQPOI-SNVBAGLBSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FSrSHRXGsT8
Name (R)-(+)-2-benzyloxycarbonylaminopropyl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.115758027 u
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-10(8-17-11(2)15)14-13(16)18-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKey DUMCOMSITHQPOI-SNVBAGLBSA-N
Molecular Weight 251.282 g/mol
SMILES C(N[C@@](COC(=O)C)(C)[H])(=O)OCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91754