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Carbonic acid, monoamide, N-heptyl-, 3-chloropropyl ester

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

Carbonic acid, monoamide, N-heptyl-, 3-chloropropyl ester
SpectraBase Compound ID CMtZiKq7Rgg
InChI InChI=1S/C11H22ClNO2/c1-2-3-4-5-6-9-13-11(14)15-10-7-8-12/h2-10H2,1H3,(H,13,14)
InChIKey NJKJSHKZMAULCO-UHFFFAOYSA-N
Mol Weight 235.75 g/mol
Molecular Formula C11H22ClNO2
Exact Mass 235.133907 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2qtv1Id5Z9e
Name Carbonic acid, monoamide, N-heptyl-, 3-chloropropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.133906650 u
Formula C11H22ClNO2
InChI InChI=1S/C11H22ClNO2/c1-2-3-4-5-6-9-13-11(14)15-10-7-8-12/h2-10H2,1H3,(H,13,14)
InChIKey NJKJSHKZMAULCO-UHFFFAOYSA-N
Molecular Weight 235.755 g/mol
SMILES C(CCNC(OCCCCl)=O)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.819617