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1-[(3Z)-3-(hydroxyimino)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl]pyridinium 4-[(E)-(4-anilinophenyl)diazenyl]benzenesulfonate

View entire compound with spectra: 2 NMR

1-[(3Z)-3-(hydroxyimino)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl]pyridinium 4-[(E)-(4-anilinophenyl)diazenyl]benzenesulfonate
SpectraBase Compound ID A3ORX0pcDuW
InChI InChI=1S/C18H15N3O3S.C15H20N2O/c22-25(23,24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14;1-14(2)11-7-8-15(14,3)13(16-18)12(11)17-9-5-4-6-10-17/h1-13,19H,(H,22,23,24);4-6,9-12H,7-8H2,1-3H3/b21-20+;16-13+/t;11-,12?,15+/m.1/s1
InChIKey MVTWXCYINKBRKJ-RVWMMNCNSA-N
Mol Weight 597.73 g/mol
Molecular Formula C33H35N5O4S
Exact Mass 597.240976 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6398JkIpNxa
Name 1-[(3Z)-3-(Hydroxyimino)-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl]pyridinium 4-[(E)-(4-anilinophenyl)diazenyl]benzenesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 597.240975797 u
Formula C33H35N5O4S
InChI InChI=1S/C18H15N3O3S.C15H20N2O/c22-25(23,24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14;1-14(2)11-7-8-15(14,3)13(16-18)12(11)17-9-5-4-6-10-17/h1-13,19H,(H,22,23,24);4-6,9-12H,7-8H2,1-3H3/b21-20+;16-13+/t;11-,12?,15+/m.1/s1
InChIKey MVTWXCYINKBRKJ-RVWMMNCNSA-N
SMILES N(C=1C=CC(\N=N\C=2C=CC(S([O-])(=O)=O)=CC2)=CC1)C=1C=CC=CC1.O\N=C\1[C@]2(C(C)(C)[C@@](C1[N+]=1C=CC=CC1)(CC2)[H])C