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(S)-(+)-1-(3-Methylphenyl)-2-nitroethanol
SpectraBase Compound ID 3aHioJBTt2d
InChI InChI=1S/C9H11NO3/c1-7-3-2-4-8(5-7)9(11)6-10(12)13/h2-5,9,11H,6H2,1H3/t9-/m1/s1
InChIKey OGLIZYGDJZWODN-SECBINFHSA-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 Chf3brlljxk
Name (S)-(+)-1-(3-Methylphenyl)-2-nitroethanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO3
InChI InChI=1S/C9H11NO3/c1-7-3-2-4-8(5-7)9(11)6-10(12)13/h2-5,9,11H,6H2,1H3/t9-/m1/s1
InChIKey OGLIZYGDJZWODN-SECBINFHSA-N
Literature Reference DOI 10.1002/adsc.201200337
Molecular Weight 181.191 g/mol
SMILES O[C@](C[N+](=O)[O-])(c1cc(ccc1)C)[H]
SPLASH splash10-008c-4900000000-f00e32b2b5cf336528b1
Source of Spectrum ASC-354-n/a/SM21-29
Synonyms (S)-2-nitro-1-(m-tolyl)ethanol
Wiley ID 1762681