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9-Dodecenoic acid, dmox derivative

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

9-Dodecenoic acid, dmox derivative
SpectraBase Compound ID mdFQdY6DUp
InChI InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-15-17-16(2,3)14-18-15/h5-6H,4,7-14H2,1-3H3/b6-5-
InChIKey YOAQXFRSXOZXQL-WAYWQWQTSA-N
Mol Weight 251.41 g/mol
Molecular Formula C16H29NO
Exact Mass 251.224915 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ISSpkCiY2eP
Name 9-Dodecenoic acid, dmox derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.224914557 u
Formula C16H29NO
InChI InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-15-17-16(2,3)14-18-15/h5-6H,4,7-14H2,1-3H3/b6-5-
InChIKey YOAQXFRSXOZXQL-WAYWQWQTSA-N
Molecular Weight 251.414 g/mol
SMILES C(C\C=C/CC)CCCCCC=1OCC(N1)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972047