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2-Nitro-3-phenyl-1,3-butanediol

View entire compound with spectra: 1 NMR, and 2 MS (GC)

2-Nitro-3-phenyl-1,3-butanediol
SpectraBase Compound ID 2hk72OSe4TY
InChI InChI=1S/C10H13NO4/c1-10(13,9(7-12)11(14)15)8-5-3-2-4-6-8/h2-6,9,12-13H,7H2,1H3
InChIKey NWRBCGMXRLGXPK-UHFFFAOYSA-N
Mol Weight 211.22 g/mol
Molecular Formula C10H13NO4
Exact Mass 211.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fv1ziTX1u8Z
Name 2-Nitro-3-phenyl-1,3-butanediol
Alternate Name(s) 2-Nitro-3-phenylbutane-1,3-diol
CAS Registry Number 96040-20-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13NO4
InChI InChI=1S/C10H13NO4/c1-10(13,9(7-12)11(14)15)8-5-3-2-4-6-8/h2-6,9,12-13H,7H2,1H3
InChIKey NWRBCGMXRLGXPK-UHFFFAOYSA-N
Molecular Weight 211.217 g/mol
SMILES OCC(C(O)(c1ccccc1)C)N(=O)=O
SPLASH splash10-0adl-9800000000-c87dc529bb67662fafdf
Wiley ID 1480095