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3-Benzyloxybutanoic acid

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

3-Benzyloxybutanoic acid
SpectraBase Compound ID emtQBsZCCZ
InChI InChI=1S/C11H14O3/c1-9(7-11(12)13)14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)/t9-/m1/s1
InChIKey RVRIZGVVPBNJCQ-SECBINFHSA-N
Mol Weight 194.23 g/mol
Molecular Formula C11H14O3
Exact Mass 194.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2PW4OV6wqIC
Name 3-Benzyloxybutanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.094294308 u
Formula C11H14O3
InChI InChI=1S/C11H14O3/c1-9(7-11(12)13)14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)/t9-/m1/s1
InChIKey RVRIZGVVPBNJCQ-SECBINFHSA-N
Molecular Weight 194.230 g/mol
SMILES C(C[C@](OCC1=CC=CC=C1)(C)[H])(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.984683