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Dimethyl cis-3,7-bis(p-tolylsulfonylhydrazono)bicyclo[3.3.0]octane-1,5-dicarboxylate
SpectraBase Compound ID IFBl9dxU306
InChI InChI=1S/C26H30N4O8S2/c1-17-5-9-21(10-6-17)39(33,34)29-27-19-13-25(23(31)37-3)15-20(16-26(25,14-19)24(32)38-4)28-30-40(35,36)22-11-7-18(2)8-12-22/h5-12,29-30H,13-16H2,1-4H3/b27-19-,28-20+/t25-,26+/m1/s1
InChIKey RVBYVHILAUOWTN-IDUSABRUSA-N
Mol Weight 590.67 g/mol
Molecular Formula C26H30N4O8S2
Exact Mass 590.150506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EHlHz0mogN
Name Dimethyl cis-3,7-bis(p-tolylsulfonylhydrazono)bicyclo[3.3.0]octane-1,5-dicarboxylate
Alternate Name(s) Dimethyl 2,5-bis{[(4-methylphenyl)sulfonyl]hydrazono}tetrahydro-3a,6a(1H,4H)-pentalenedicarboxylate
CAS Registry Number 111718-27-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N4O8S2
InChI InChI=1S/C26H30N4O8S2/c1-17-5-9-21(10-6-17)39(33,34)29-27-19-13-25(23(31)37-3)15-20(16-26(25,14-19)24(32)38-4)28-30-40(35,36)22-11-7-18(2)8-12-22/h5-12,29-30H,13-16H2,1-4H3/b27-19-,28-20+/t25-,26+/m1/s1
InChIKey RVBYVHILAUOWTN-IDUSABRUSA-N
Molecular Weight 590.666 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)\N=C\1C[C@]2([C@](C\C(=N\NS(c3ccc(cc3)C)(=O)=O)C2)(C1)C(=O)OC)C(=O)OC
SPLASH splash10-00kf-9500000000-b08530a365ef77b2f6c7
Source of Spectrum K-121-653-20
Wiley ID 1409305