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5-Methyl-3-nitro-2,4-hexanediol
SpectraBase Compound ID IwGjw2BWH5a
InChI InChI=1S/C7H15NO4/c1-4(2)7(10)6(5(3)9)8(11)12/h4-7,9-10H,1-3H3
InChIKey MHMKYCQSVYJNNY-UHFFFAOYSA-N
Mol Weight 177.2 g/mol
Molecular Formula C7H15NO4
Exact Mass 177.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CsRr9BM2rs
Name 5-Methyl-3-nitro-2,4-hexanediol
CAS Registry Number 78651-63-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H15NO4
InChI InChI=1S/C7H15NO4/c1-4(2)7(10)6(5(3)9)8(11)12/h4-7,9-10H,1-3H3
InChIKey MHMKYCQSVYJNNY-UHFFFAOYSA-N
Molecular Weight 177.200 g/mol
SMILES OC(C(C(O)C(C)C)N(=O)=O)C
SPLASH splash10-0006-9000000000-8c9a4cae660c7d86e058
Synonyms 2,4-Hexanediol, 5-methyl-3-nitro- 5-Methyl-3-nitro-hexane-2,4-diol
Wiley ID 1490012