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Ethyl (3E,5R)-5-(cbz-glycylamino)-3-hexenoate

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

Ethyl (3E,5R)-5-(cbz-glycylamino)-3-hexenoate
SpectraBase Compound ID EcpbQCAfVG5
InChI InChI=1S/C18H24N2O5/c1-3-24-17(22)11-7-8-14(2)20-16(21)12-19-18(23)25-13-15-9-5-4-6-10-15/h4-10,14H,3,11-13H2,1-2H3,(H,19,23)(H,20,21)/b8-7+
InChIKey MYJCXNHAMCXBLE-BQYQJAHWSA-N
Mol Weight 348.4 g/mol
Molecular Formula C18H24N2O5
Exact Mass 348.168522 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H1hTC4hhIP0
Name Ethyl (3E,5R)-5-(cbz-glycylamino)-3-hexenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.168521876 u
Formula C18H24N2O5
InChI InChI=1S/C18H24N2O5/c1-3-24-17(22)11-7-8-14(2)20-16(21)12-19-18(23)25-13-15-9-5-4-6-10-15/h4-10,14H,3,11-13H2,1-2H3,(H,19,23)(H,20,21)/b8-7+
InChIKey MYJCXNHAMCXBLE-BQYQJAHWSA-N
Molecular Weight 348.399 g/mol
SMILES C(NCC(NC(\C=C\CC(=O)OCC)C)=O)(=O)OCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931388