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(2S,3R)-2-methyl-3-(2-oxanyloxy)decanoic acid

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

(2S,3R)-2-methyl-3-(2-oxanyloxy)decanoic acid
SpectraBase Compound ID 2EmjoBFx4lz
InChI InChI=1S/C16H30O4/c1-3-4-5-6-7-10-14(13(2)16(17)18)20-15-11-8-9-12-19-15/h13-15H,3-12H2,1-2H3,(H,17,18)/t13-,14+,15?/m0/s1
InChIKey YXSFFCMFXYLWGV-SNTRVMSOSA-N
Mol Weight 286.41 g/mol
Molecular Formula C16H30O4
Exact Mass 286.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AWDDMkxSWaF
Name (2S,3R)-2-Methyl-3-(2-oxanyloxy)decanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 286.214409442 u
Formula C16H30O4
InChI InChI=1S/C16H30O4/c1-3-4-5-6-7-10-14(13(2)16(17)18)20-15-11-8-9-12-19-15/h13-15H,3-12H2,1-2H3,(H,17,18)/t13-,14+,15?/m0/s1
InChIKey YXSFFCMFXYLWGV-SNTRVMSOSA-N
SMILES [C@](C(=O)O)([C@](OC1OCCCC1)(CCCCCCC)[H])(C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910479