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(2R,4S)-2,4-Pentanediol

View entire compound with spectra: 3 NMR, 2 FTIR, and 1 Raman

(2R,4S)-2,4-Pentanediol
SpectraBase Compound ID Ef3coY8jtrK
InChI InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5-/m0/s1
InChIKey GTCCGKPBSJZVRZ-WHFBIAKZSA-N
Mol Weight 104.15 g/mol
Molecular Formula C5H12O2
Exact Mass 104.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AGD2y3k6bLb
Name (2S,4S)-(+)-Pentanediol
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 267872
CAS Registry Number 72345-23-4
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H12O2
InChI 1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5-/m0/s1
InChIKey GTCCGKPBSJZVRZ-WHFBIAKZSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (S,S)-(+)-2,4-Pentanediol [S-(S*,S*)]-(+)-2,4-Pentanediol
Wiley ID SIAL_13CNMR_004825