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(1.alpha.,4.alpha.,4a.beta.,8.beta.,10a.alpha.)-(1,6,7,8,9,10a-Hexahydro-4H-1,4-epoxy-4a,8-methanobenzocycloocten-10(5H)-ylidene)hydrazide of 4-bromobenzenesulfonic acid
SpectraBase Compound ID 9bswRr8CFuf
InChI InChI=1S/C19H21BrN2O3S/c20-13-4-6-14(7-5-13)26(23,24)22-21-18-12-3-1-2-10-19(11-12)16-9-8-15(25-16)17(18)19/h4-9,12,15-17,22H,1-3,10-11H2/b21-18+/t12-,15+,16-,17+,19+/m0/s1
InChIKey HKBWMYNAAALAOT-WXMOTCKPSA-N
Mol Weight 437.35 g/mol
Molecular Formula C19H21BrN2O3S
Exact Mass 436.045627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DoNdLCiz4PF
Name (1.alpha.,4.alpha.,4a.beta.,8.beta.,10a.alpha.)-(1,6,7,8,9,10a-Hexahydro-4H-1,4-epoxy-4a,8-methanobenzocycloocten-10(5H)-ylidene)hydrazide of 4-bromobenzenesulfonic acid
CAS Registry Number 71423-36-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21BrN2O3S
InChI InChI=1S/C19H21BrN2O3S/c20-13-4-6-14(7-5-13)26(23,24)22-21-18-12-3-1-2-10-19(11-12)16-9-8-15(25-16)17(18)19/h4-9,12,15-17,22H,1-3,10-11H2/b21-18+/t12-,15+,16-,17+,19+/m0/s1
InChIKey HKBWMYNAAALAOT-WXMOTCKPSA-N
Molecular Weight 437.352 g/mol
SMILES N(S(c1ccc(cc1)Br)(=O)=O)\N=C\1[C@@]2([C@]3([C@]4(O[C@@]2(C=C4)[H])[H])CCCC[C@]1(C3)[H])[H]
SPLASH splash10-00ke-9831000000-ff65b5e629fb105cabea
Source of Spectrum J-44-3797-0
Synonyms 4-Bromo-N'-[(1S,2S,5R,6S,7E,8S)-14-oxatetracyclo[6.4.1.1(2,5).0(1,6)]tetradec-3-en-7-ylidene]benzenesulfonohydrazide
Wiley ID 1383384