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Ethyl (2R,3R,4R)-N-(methoxycarbonyl)-4-benzyl-2,3-methanoprolinate
SpectraBase Compound ID EamSClhabza
InChI InChI=1S/C17H21NO4/c1-3-22-15(19)17-10-14(17)13(11-18(17)16(20)21-2)9-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3/t13-,14+,17+/m0/s1
InChIKey YBUYVJHXFVXNDE-JJRVBVJISA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Y4RHaWMst2
Name Ethyl (2R,3R,4R)-N-(methoxycarbonyl)-4-benzyl-2,3-methanoprolinate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.147058156 u
Formula C17H21NO4
InChI InChI=1S/C17H21NO4/c1-3-22-15(19)17-10-14(17)13(11-18(17)16(20)21-2)9-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3/t13-,14+,17+/m0/s1
InChIKey YBUYVJHXFVXNDE-JJRVBVJISA-N
SMILES [C@]12(N(C(=O)OC)C[C@@]([C@@]2([H])C1)(CC1=CC=CC=C1)[H])C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969403