Debug Info

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E9qK9V57vzc
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E9qK9V57vzc
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2,4-Pentanediol
SpectraBase Compound ID 8zYVkbD7Iv1
InChI InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3
InChIKey GTCCGKPBSJZVRZ-UHFFFAOYSA-N
Mol Weight 104.15 g/mol
Molecular Formula C5H12O2
Exact Mass 104.08373 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E9qK9V57vzc
Name 2,4-Pentanediol
CAS Registry Number 625-69-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H12O2
InChI InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3
InChIKey GTCCGKPBSJZVRZ-UHFFFAOYSA-N
Molecular Weight 104.149 g/mol
SMILES OC(CC(O)C)C
SPLASH splash10-0005-9000000000-3c894504e84e0b8aac89
Source of Spectrum AA-0-310-1
Synonyms (2R,4R)-(-)-Pentanediol (2S,4S)-(+)-Pentanediol 2,4-Amylene glycol 2,4-Pentanediol (dl+meso) dl-2,4-Pentanediol Isoamylene alcohol Pentane-2,4-diol Pentanediol-2,4 AI3-11547 EINECS 210-907-5 NSC 13528 NSC 53505
Wiley ID 2115
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