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7-Nitro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-1-yl p-tolyl sulfide
SpectraBase Compound ID DUf5NkDdJoa
InChI InChI=1S/C18H17NO2S/c1-12-2-5-15(6-3-12)22-18-9-8-13(11-18)16-7-4-14(19(20)21)10-17(16)18/h2-7,10,13H,8-9,11H2,1H3
InChIKey KYFNCBSFPZXWHS-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C18H17NO2S
Exact Mass 311.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdgcoU6FtO8
Name 7-Nitro-1,2,3,4-tetrahydro-1,4-methanonaphthalen-1-yl p-tolyl sulfide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO2S
InChI InChI=1S/C18H17NO2S/c1-12-2-5-15(6-3-12)22-18-9-8-13(11-18)16-7-4-14(19(20)21)10-17(16)18/h2-7,10,13H,8-9,11H2,1H3
InChIKey KYFNCBSFPZXWHS-UHFFFAOYSA-N
Molecular Weight 311.399 g/mol
SMILES C12(c3c(ccc(N(=O)=O)c3)C(C1)CC2)Sc1ccc(cc1)C
SPLASH splash10-03ei-0696000000-b5d5dcecaef4556dcf11
Source of Spectrum JA-49-581-0
Synonyms 1-[(4-methylphenyl)sulfanyl]-4-nitrotricyclo[6.2.1.0(2,7)]undeca-2,4,6-triene 4-Methylphenyl 4-nitrotricyclo[6.2.1.0(2,7)]undeca-2,4,6-trien-1-yl sulfide
Wiley ID 1312459