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2-NITRO-1-PHENYL-1-PROPANOL,ISOMER-#1
SpectraBase Compound ID DqK9sH2U1a5
InChI InChI=1S/C9H11NO3/c1-7(10(12)13)9(11)8-5-3-2-4-6-8/h2-7,9,11H,1H3
InChIKey JGYVPZIKTZGAAD-UHFFFAOYSA-N
Mol Weight 181.19 g/mol
Molecular Formula C9H11NO3
Exact Mass 181.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Yo6ulMh3Nc
Name 1-Phenyl-2-nitro-1-propanol I
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 181.073893215 u
Formula C9H11NO3
InChI InChI=1S/C9H11NO3/c1-7(10(12)13)9(11)8-5-3-2-4-6-8/h2-7,9,11H,1H3
InChIKey JGYVPZIKTZGAAD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 181.191 g/mol
Nominal Mass 181 u
Quality 928
Retention Index 1493
SMILES OC(C=1C=CC=CC1)C([N+](=O)[O-])C
SPLASH splash10-0a6r-6900000000-c9265d8162bf20f530c9
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-nitro-1-phenylpropan-1-ol
Technique GC/MS
Wiley ID DD2024_003596