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2-Amino-1-(4-nitrophenyl)-1,3-propanediol
SpectraBase Compound ID AJbT4YAUCOS
InChI InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2
InChIKey OCYJXSUPZMNXEN-UHFFFAOYSA-N
Mol Weight 212.21 g/mol
Molecular Formula C9H12N2O4
Exact Mass 212.079707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eti5vBGe0Am
Name 2-Amino-1-(4-nitrophenyl)-1,3-propanediol
CAS Registry Number 3689-55-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O4
InChI InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2
InChIKey OCYJXSUPZMNXEN-UHFFFAOYSA-N
Molecular Weight 212.205 g/mol
SMILES OCC(C(c1ccc(N(=O)=O)cc1)O)N
SPLASH splash10-03di-9300000000-b32bc764cd3ba8831fb9
Source of Spectrum NP-4-7965-0
Synonyms 1,3-Propanediol, 2-amino-1-(p-nitrophenyl)-, D-threo-(-)- D-(-)-threo-2-Amino-1-(p-nitrophenyl)-1,3-propanediol 2-Azanyl-1-(4-nitrophenyl)propane-1,3-diol D-threo-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
Wiley ID 1104253