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N-{3-[(Benzyloxycarbonyl)prop-2'-enoyl]bornane-10,2-sultam
SpectraBase Compound ID IxPRybAZ9EN
InChI InChI=1S/C21H25NO5S/c1-20(2)16-10-11-21(20)14-28(25,26)22(17(21)12-16)18(23)8-9-19(24)27-13-15-6-4-3-5-7-15/h3-9,16-17H,10-14H2,1-2H3/b9-8+/t16-,17-,21-/m0/s1
InChIKey BXTZLFRIEOQHAI-OEVXEJKSSA-N
Mol Weight 403.49 g/mol
Molecular Formula C21H25NO5S
Exact Mass 403.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QgOmRY9DL2
Name N-{3-[(Benzyloxycarbonyl)prop-2'-enoyl]bornane-10,2-sultam
Alternate Name(s) benzyl (2E)-4-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl]-4-oxo-2-butenoate Benzyl 4-[1',4',5',6',7',7'a-hexahydro-8',8'-dimethyl-2',2'-dioxido-3H-3'a,6'-methano[2.1]benzisothiazol-1'-yl]-4-oxobut-2-enoate
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Formula C21H25NO5S
InChI InChI=1S/C21H25NO5S/c1-20(2)16-10-11-21(20)14-28(25,26)22(17(21)12-16)18(23)8-9-19(24)27-13-15-6-4-3-5-7-15/h3-9,16-17H,10-14H2,1-2H3/b9-8+/t16-,17-,21-/m0/s1
InChIKey BXTZLFRIEOQHAI-OEVXEJKSSA-N
Molecular Weight 403.493 g/mol
SMILES [C@]12(N(S(C[C@]11C([C@](C2)(CC1)[H])(C)C)(=O)=O)C(\C=C\C(=O)OCc1ccccc1)=O)[H]
SPLASH splash10-0006-9140000000-cf10997465f18c4e5240
Source of Spectrum H-82-188-1
Wiley ID 754417