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Succinic acid, butyl 4-(chloromethyl)benzyl ester

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Succinic acid, butyl 4-(chloromethyl)benzyl ester
SpectraBase Compound ID 36GFy3pu5MS
InChI InChI=1S/C16H21ClO4/c1-2-3-10-20-15(18)8-9-16(19)21-12-14-6-4-13(11-17)5-7-14/h4-7H,2-3,8-12H2,1H3
InChIKey VXUQMNGEKGONRE-UHFFFAOYSA-N
Mol Weight 312.79 g/mol
Molecular Formula C16H21ClO4
Exact Mass 312.112837 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ad5gideima5
Name Succinic acid, butyl 4-(chloromethyl)benzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.112836852 u
Formula C16H21ClO4
InChI InChI=1S/C16H21ClO4/c1-2-3-10-20-15(18)8-9-16(19)21-12-14-6-4-13(11-17)5-7-14/h4-7H,2-3,8-12H2,1H3
InChIKey VXUQMNGEKGONRE-UHFFFAOYSA-N
Molecular Weight 312.793 g/mol
SMILES C(CCC(OCC=1C=CC(=CC1)CCl)=O)(OCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.852981