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Sarcosine, N-hexanoyl-, dodecyl ester

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Sarcosine, N-hexanoyl-, dodecyl ester
SpectraBase Compound ID Klqa220zA6x
InChI InChI=1S/C21H41NO3/c1-4-6-8-9-10-11-12-13-14-16-18-25-21(24)19-22(3)20(23)17-15-7-5-2/h4-19H2,1-3H3
InChIKey OZGGKIZUGSDRKE-UHFFFAOYSA-N
Mol Weight 355.6 g/mol
Molecular Formula C21H41NO3
Exact Mass 355.308644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5kd0mpTN14d
Name Sarcosine, N-hexanoyl-, dodecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.308644181 u
Formula C21H41NO3
InChI InChI=1S/C21H41NO3/c1-4-6-8-9-10-11-12-13-14-16-18-25-21(24)19-22(3)20(23)17-15-7-5-2/h4-19H2,1-3H3
InChIKey OZGGKIZUGSDRKE-UHFFFAOYSA-N
Molecular Weight 355.563 g/mol
SMILES CCCCCC(N(CC(OCCCCCCCCCCCC)=O)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902281