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(S,SS)-N-(tert-Butylsulfinyl)-2-nitro-1-phenylethanamine
SpectraBase Compound ID 2TshjV2HT5D
InChI InChI=1S/C12H18N2O3S/c1-12(2,3)18(17)13-11(9-14(15)16)10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3/t11-,18?/m1/s1
InChIKey ZZIZPSSNXVOLAA-SSJGJQFISA-N
Mol Weight 270.35 g/mol
Molecular Formula C12H18N2O3S
Exact Mass 270.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oTaTwxhO4n
Name (S,SS)-N-(tert-Butylsulfinyl)-2-nitro-1-phenylethanamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18N2O3S
InChI InChI=1S/C12H18N2O3S/c1-12(2,3)18(17)13-11(9-14(15)16)10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3/t11-,18?/m1/s1
InChIKey ZZIZPSSNXVOLAA-SSJGJQFISA-N
Molecular Weight 270.347 g/mol
SMILES N([S@](C(C)(C)C)=O)[C@](CN(=O)=O)(c1ccccc1)[H]
SPLASH splash10-0pvi-8900000000-79cd32d48967751966ca
Source of Spectrum QC-25-369-3d
Synonyms (S)-2-methyl-N-((S)-2-nitro-1-phenylethyl)propane-2-sulfinamide
Wiley ID 1742724