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2-(p-Nitrophenyl)-1,3-propanediol
SpectraBase Compound ID FaON22d2HCQ
InChI InChI=1S/C9H11NO4/c11-5-8(6-12)7-1-3-9(4-2-7)10(13)14/h1-4,8,11-12H,5-6H2
InChIKey LWDKPEXFAQGVTE-UHFFFAOYSA-N
Mol Weight 197.19 g/mol
Molecular Formula C9H11NO4
Exact Mass 197.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFXXslhd0X2
Name 2-(p-Nitrophenyl)-1,3-propanediol
Alternate Name(s) 2-(4-Nitrophenyl)-1,3-propanediol 2-(4-nitrophenyl)propane-1,3-diol
CAS Registry Number 91748-03-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO4
InChI InChI=1S/C9H11NO4/c11-5-8(6-12)7-1-3-9(4-2-7)10(13)14/h1-4,8,11-12H,5-6H2
InChIKey LWDKPEXFAQGVTE-UHFFFAOYSA-N
Molecular Weight 197.190 g/mol
SMILES OCC(CO)c1ccc(cc1)N(=O)=O
SPLASH splash10-03di-9100000000-b5e9063861604834332b
Source of Spectrum JZ-1992-4705-0
Wiley ID 1194341