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Glutaricacid-methylester-benzylester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Glutaricacid-methylester-benzylester
SpectraBase Compound ID GIfqQhrNkRF
InChI InChI=1S/C13H16O4/c1-16-12(14)8-5-9-13(15)17-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3
InChIKey SGDHACKTDDDMDB-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L3MF6W6Nlc
Name Glutaricacid-methylester-benzylester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.104858991 u
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-16-12(14)8-5-9-13(15)17-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3
InChIKey SGDHACKTDDDMDB-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES C(=O)(OCC1=CC=CC=C1)CCCC(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902657