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Carbamic acid, 4-methoxyphenyl-, isobutyl ester

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Carbamic acid, 4-methoxyphenyl-, isobutyl ester
SpectraBase Compound ID JBRy7fkfR0M
InChI InChI=1S/C12H17NO3/c1-9(2)8-16-12(14)13-10-4-6-11(15-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKey DFGIHRAYHKQFIA-UHFFFAOYSA-N
Mol Weight 223.27 g/mol
Molecular Formula C12H17NO3
Exact Mass 223.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EvkVETMRtkp
Name Carbamic acid, 4-methoxyphenyl-, isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.120843408 u
Formula C12H17NO3
InChI InChI=1S/C12H17NO3/c1-9(2)8-16-12(14)13-10-4-6-11(15-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKey DFGIHRAYHKQFIA-UHFFFAOYSA-N
Molecular Weight 223.272 g/mol
SMILES C1=C(C=CC(=C1)OC)NC(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872677