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

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Carbonic acid, monoamide, N-3-methylbutyl-, 3-chloropropyl ester
SpectraBase Compound ID BN5CSj2kvv4
InChI InChI=1S/C9H18ClNO2/c1-8(2)4-6-11-9(12)13-7-3-5-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKey COTJJHCRBBYIEH-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 FUytrvlaJ9n
Name Carbonic acid, monoamide, N-3-methylbutyl-, 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/c1-8(2)4-6-11-9(12)13-7-3-5-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKey COTJJHCRBBYIEH-UHFFFAOYSA-N
Molecular Weight 207.701 g/mol
SMILES C(CCNC(OCCCCl)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.838423