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

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Carbonic acid, monoamide, N-pentyl-, 3-chloropropyl ester
SpectraBase Compound ID 1tYPxCQLGcf
InChI InChI=1S/C9H18ClNO2/c1-2-3-4-7-11-9(12)13-8-5-6-10/h2-8H2,1H3,(H,11,12)
InChIKey PMIVKTINYHLEEG-UHFFFAOYSA-N
Mol Weight 207.7 g/mol
Molecular Formula C9H18ClNO2
Exact Mass 207.102607 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4bead5bNMVC
Name Carbonic acid, monoamide, N-pentyl-, 3-chloropropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.102606522 u
Formula C9H18ClNO2
InChI InChI=1S/C9H18ClNO2/c1-2-3-4-7-11-9(12)13-8-5-6-10/h2-8H2,1H3,(H,11,12)
InChIKey PMIVKTINYHLEEG-UHFFFAOYSA-N
Molecular Weight 207.701 g/mol
SMILES C(CCNC(OCCCCl)=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901714