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1-[(4-methylphenyl)sulfanyl]-3-nitrodibenzo[b,f]oxepine
SpectraBase Compound ID 5aubttTrMDC
InChI InChI=1S/C21H15NO3S/c1-14-6-9-17(10-7-14)26-21-13-16(22(23)24)12-20-18(21)11-8-15-4-2-3-5-19(15)25-20/h2-13H,1H3
InChIKey ZUPDHPRTAGVHTH-UHFFFAOYSA-N
Mol Weight 361.42 g/mol
Molecular Formula C21H15NO3S
Exact Mass 361.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZ0fIzFUOcu
Name 1-[(4-methylphenyl)sulfanyl]-3-nitrodibenzo[b,f]oxepine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15NO3S
InChI InChI=1S/C21H15NO3S/c1-14-6-9-17(10-7-14)26-21-13-16(22(23)24)12-20-18(21)11-8-15-4-2-3-5-19(15)25-20/h2-13H,1H3
InChIKey ZUPDHPRTAGVHTH-UHFFFAOYSA-N
Molecular Weight 361.415 g/mol
SMILES c1ccc2Oc3cc(N(=O)=O)cc(c3C=Cc2c1)Sc1ccc(cc1)C
SPLASH splash10-03di-5976000000-c56a3ff98aba40b7c14e
Synonyms 2-Nitro-4-(p-tolylsulfanyl)benzo[b][1]benzoxepine 2-Nitro-4-(p-tolylthio)benzo[b][1]benzoxepin 4-(4-Methylphenyl)sulfanyl-2-nitro-benzo[b][1]benzoxepine 4-[(4-methylphenyl)thio]-2-nitrobenzo[b][1]benzoxepin Dibenzo[b,f]oxepine, 3-nitro-1-p-tolylsulfanyl-
Wiley ID 1441205