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1,2-Pentanediol, 5-(1H-pyrrol-1-yl)-
SpectraBase Compound ID 3pZN2dqYwsG
InChI InChI=1S/C9H15NO2/c11-8-9(12)4-3-7-10-5-1-2-6-10/h1-2,5-6,9,11-12H,3-4,7-8H2
InChIKey GHKHOBAJFBYJKV-UHFFFAOYSA-N
Mol Weight 169.22 g/mol
Molecular Formula C9H15NO2
Exact Mass 169.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BvCisGaXw3k
Name 1,2-Pentanediol, 5-(1H-pyrrol-1-yl)-
CAS Registry Number 106681-43-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15NO2
InChI InChI=1S/C9H15NO2/c11-8-9(12)4-3-7-10-5-1-2-6-10/h1-2,5-6,9,11-12H,3-4,7-8H2
InChIKey GHKHOBAJFBYJKV-UHFFFAOYSA-N
Molecular Weight 169.224 g/mol
SMILES OC(CO)CCC[n]1cccc1
SPLASH splash10-00lr-9400000000-8ffa44f9df6596e9a287
Source of Spectrum J-52-825-34
Synonyms 5-(1H-pyrrol-1-yl)-1,2-pentanediol 5-N-pyrrolylpentane-1,2-diol
Wiley ID 1165798