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Benzenemethanol, .alpha.-[3-[(4-nitrophenyl)sulfinyl]-2-propenyl]-, (E)-
SpectraBase Compound ID BDSsOQtqIFK
InChI InChI=1S/C16H15NO4S/c18-16(13-5-2-1-3-6-13)7-4-12-22(21)15-10-8-14(9-11-15)17(19)20/h1-6,8-12,16,18H,7H2/b12-4+
InChIKey AAZGJHSJGDOVHD-UUILKARUSA-N
Mol Weight 317.36 g/mol
Molecular Formula C16H15NO4S
Exact Mass 317.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gxPdV4T3UM
Name Benzenemethanol, .alpha.-[3-[(4-nitrophenyl)sulfinyl]-2-propenyl]-, (E)-
CAS Registry Number 78012-61-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NO4S
InChI InChI=1S/C16H15NO4S/c18-16(13-5-2-1-3-6-13)7-4-12-22(21)15-10-8-14(9-11-15)17(19)20/h1-6,8-12,16,18H,7H2/b12-4+
InChIKey AAZGJHSJGDOVHD-UUILKARUSA-N
Molecular Weight 317.359 g/mol
SMILES OC(c1ccccc1)C\C=C\S(c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0bvl-4930000000-c42c6a7c5d4feadbaced
Source of Spectrum B-33-2647-0
Synonyms (3E)-4-[(4-nitrophenyl)sulfinyl]-1-phenyl-3-buten-1-ol (E)-1-Phenyl-4-(p-nitrophenylsulfinyl)but-3-en-1-ol
Wiley ID 1317592