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(2R,3R)-Pentanediol
SpectraBase Compound ID H8dNrB9zxhq
InChI InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1
InChIKey XLMFDCKSFJWJTP-RFZPGFLSSA-N
Mol Weight 104.15 g/mol
Molecular Formula C5H12O2
Exact Mass 104.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pRoAh3Go9R
Name (2R,3R)-Pentanediol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H12O2
InChI InChI=1S/C5H12O2/c1-3-5(7)4(2)6/h4-7H,3H2,1-2H3/t4-,5-/m1/s1
InChIKey XLMFDCKSFJWJTP-RFZPGFLSSA-N
Instrument Name HP 6890- 5973
Ionization Type EI
Literature Reference DOI 10.1021/np100748r
Molecular Weight 104.149 g/mol
SMILES O[C@@]([C@@](C)(O)[H])(CC)[H]
SPLASH splash10-0a4i-9000000000-872b58c0632c843757c9
Source of Spectrum G4-74-693-693-3
Wiley ID 1849101