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Glutaric acid, monoamide, N-dodecyl-, isobutyl ester

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Glutaric acid, monoamide, N-dodecyl-, isobutyl ester
SpectraBase Compound ID 3LDABeGhFZ8
InChI InChI=1S/C21H41NO3/c1-4-5-6-7-8-9-10-11-12-13-17-22-20(23)15-14-16-21(24)25-18-19(2)3/h19H,4-18H2,1-3H3,(H,22,23)
InChIKey ZVRLDWZTBXPKEI-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 FlY1CvDCtT8
Name Glutaric acid, monoamide, N-dodecyl-, isobutyl 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/c1-4-5-6-7-8-9-10-11-12-13-17-22-20(23)15-14-16-21(24)25-18-19(2)3/h19H,4-18H2,1-3H3,(H,22,23)
InChIKey ZVRLDWZTBXPKEI-UHFFFAOYSA-N
Molecular Weight 355.563 g/mol
SMILES CC(C)COC(CCCC(NCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929939