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Isonipecotic acid, N-methoxycarbonyl-, dodecyl ester
SpectraBase Compound ID L7hbpAWwHWI
InChI InChI=1S/C20H37NO4/c1-3-4-5-6-7-8-9-10-11-12-17-25-19(22)18-13-15-21(16-14-18)20(23)24-2/h18H,3-17H2,1-2H3
InChIKey RCZSYRBCWJYIFQ-UHFFFAOYSA-N
Mol Weight 355.5 g/mol
Molecular Formula C20H37NO4
Exact Mass 355.272259 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IJhKS7xeiNo
Name Isonipecotic acid, N-methoxycarbonyl-, dodecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.272258671 u
Formula C20H37NO4
InChI InChI=1S/C20H37NO4/c1-3-4-5-6-7-8-9-10-11-12-17-25-19(22)18-13-15-21(16-14-18)20(23)24-2/h18H,3-17H2,1-2H3
InChIKey RCZSYRBCWJYIFQ-UHFFFAOYSA-N
Molecular Weight 355.519 g/mol
SMILES C1N(CCC(C1)C(OCCCCCCCCCCCC)=O)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.81973