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2-Azabicyclo[2.2.1]hept-5-ene, 7-methoxy-2-[(4-methylphenyl)sulfonyl]-
SpectraBase Compound ID BJF6NZIadz4
InChI InChI=1S/C14H17NO3S/c1-10-3-6-12(7-4-10)19(16,17)15-9-11-5-8-13(15)14(11)18-2/h3-8,11,13-14H,9H2,1-2H3/t11-,13-,14?/m1/s1
InChIKey VRRXQAWKTXASIY-AYBZEELNSA-N
Mol Weight 279.35 g/mol
Molecular Formula C14H17NO3S
Exact Mass 279.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8ECUR03JuM
Name 2-Azabicyclo[2.2.1]hept-5-ene, 7-methoxy-2-[(4-methylphenyl)sulfonyl]-
CAS Registry Number 85689-16-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO3S
InChI InChI=1S/C14H17NO3S/c1-10-3-6-12(7-4-10)19(16,17)15-9-11-5-8-13(15)14(11)18-2/h3-8,11,13-14H,9H2,1-2H3/t11-,13-,14?/m1/s1
InChIKey VRRXQAWKTXASIY-AYBZEELNSA-N
Molecular Weight 279.354 g/mol
SMILES [C@]12(N(S(c3ccc(cc3)C)(=O)=O)C[C@@](C=C1)(C2OC)[H])[H]
SPLASH splash10-00fr-0890000000-8a8af3acf00d1d17bd16
Source of Spectrum K-116-1094-0
Synonyms 7-Methoxy-2-[(4-methylphenyl)sulfonyl]-2-azabicyclo[2.2.1]hept-5-ene Methyl 2-[(4-methylphenyl)sulfonyl]-2-azabicyclo[2.2.1]hept-5-en-7-yl ether
Wiley ID 1282841