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Benzenemethanol, .alpha.,.alpha.-dimethyl-2-[(4-nitrophenyl)thio]-
SpectraBase Compound ID 2Qm70UyaV0K
InChI InChI=1S/C15H15NO3S/c1-15(2,17)13-5-3-4-6-14(13)20-12-9-7-11(8-10-12)16(18)19/h3-10,17H,1-2H3
InChIKey JDEXBDGXIJXTGL-UHFFFAOYSA-N
Mol Weight 289.35 g/mol
Molecular Formula C15H15NO3S
Exact Mass 289.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ORqzBXJCSq
Name Benzenemethanol, .alpha.,.alpha.-dimethyl-2-[(4-nitrophenyl)thio]-
CAS Registry Number 57302-43-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NO3S
InChI InChI=1S/C15H15NO3S/c1-15(2,17)13-5-3-4-6-14(13)20-12-9-7-11(8-10-12)16(18)19/h3-10,17H,1-2H3
InChIKey JDEXBDGXIJXTGL-UHFFFAOYSA-N
Molecular Weight 289.349 g/mol
SMILES OC(c1c(Sc2ccc(N(=O)=O)cc2)cccc1)(C)C
SPLASH splash10-00dr-0290000000-1ed8eca7fa435e783331
Source of Spectrum C-99-154-0
Synonyms 1-(2-(2-hydroxy-2-propyl)phenylthiol)-4-nitrobenzene 2-{2-[(4-nitrophenyl)sulfanyl]phenyl}-2-propanol
Wiley ID 1292539