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Sarcosine, N-benzyloxycarbonyl-, hexadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Sarcosine, N-benzyloxycarbonyl-, hexadecyl ester
SpectraBase Compound ID KcrwXerh20e
InChI InChI=1S/C27H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-31-26(29)23-28(2)27(30)32-24-25-20-17-16-18-21-25/h16-18,20-21H,3-15,19,22-24H2,1-2H3
InChIKey ZVRMEPBHLNNHSZ-UHFFFAOYSA-N
Mol Weight 447.7 g/mol
Molecular Formula C27H45NO4
Exact Mass 447.334859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DAYvAzijc1d
Name Sarcosine, N-benzyloxycarbonyl-, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 447.334858929 u
Formula C27H45NO4
InChI InChI=1S/C27H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-31-26(29)23-28(2)27(30)32-24-25-20-17-16-18-21-25/h16-18,20-21H,3-15,19,22-24H2,1-2H3
InChIKey ZVRMEPBHLNNHSZ-UHFFFAOYSA-N
Molecular Weight 447.660 g/mol
SMILES C(CCCOC(CN(C(OCC1=CC=CC=C1)=O)C)=O)CCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.84918