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1,3-Pentanediol, 4-methyl-2-nitro-
SpectraBase Compound ID FiEGsdqssb0
InChI InChI=1S/C6H13NO4/c1-4(2)6(9)5(3-8)7(10)11/h4-6,8-9H,3H2,1-2H3
InChIKey DKNHIOSPKGDBRB-UHFFFAOYSA-N
Mol Weight 163.17 g/mol
Molecular Formula C6H13NO4
Exact Mass 163.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsAIoF7kgHb
Name 1,3-Pentanediol, 4-methyl-2-nitro-
CAS Registry Number 96040-05-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H13NO4
InChI InChI=1S/C6H13NO4/c1-4(2)6(9)5(3-8)7(10)11/h4-6,8-9H,3H2,1-2H3
InChIKey DKNHIOSPKGDBRB-UHFFFAOYSA-N
Molecular Weight 163.173 g/mol
SMILES OC(C(CO)N(=O)=O)C(C)C
SPLASH splash10-0006-9000000000-07f1f6e30f76d63bfe62
Source of Spectrum C-107-3605-0
Synonyms 4-Methyl-2-nitro-pentane-1,3-diol
Wiley ID 1159299