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(R)-(+)-6-acetoxy-4-methylhexanoic acid

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

(R)-(+)-6-acetoxy-4-methylhexanoic acid
SpectraBase Compound ID BZB2m5e424F
InChI InChI=1S/C9H16O4/c1-7(3-4-9(11)12)5-6-13-8(2)10/h7H,3-6H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKey KYZNZWIYPHNVGM-SSDOTTSWSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BKqxcICPG8t
Name (R)-(+)-6-acetoxy-4-methylhexanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.104858991 u
Formula C9H16O4
InChI InChI=1S/C9H16O4/c1-7(3-4-9(11)12)5-6-13-8(2)10/h7H,3-6H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKey KYZNZWIYPHNVGM-SSDOTTSWSA-N
Molecular Weight 188.223 g/mol
SMILES C(=O)(CC[C@](CCOC(=O)C)(C)[H])O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892349