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(1S,2R,3R,4R)-3-(10,10-Dimethyl-3,3-dioxo-3lambda*6*-thia-4-aza-tricyc lo[5.2.1.0*1,5*]decane-4-carbonyl)-bicyclo[2.2.1]heptane-2-carboxylic acid

View entire compound with spectra: 1 MS (GC)

(1S,2R,3R,4R)-3-(10,10-Dimethyl-3,3-dioxo-3lambda*6*-thia-4-aza-tricyc lo[5.2.1.0*1,5*]decane-4-carbonyl)-bicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID 3iaB9GvoCFM
InChI InChI=1S/C19H27NO5S/c1-18(2)12-5-6-19(18)9-26(24,25)20(13(19)8-12)16(21)14-10-3-4-11(7-10)15(14)17(22)23/h10-15H,3-9H2,1-2H3,(H,22,23)/t10-,11+,12-,13?,14-,15-,19-/m1/s1
InChIKey YMJFYBIUIGNATQ-GQNYVGOPSA-N
Mol Weight 381.49 g/mol
Molecular Formula C19H27NO5S
Exact Mass 381.160994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMT07z8QzJQ
Name (1S,2R,3R,4R)-3-(10,10-Dimethyl-3,3-dioxo-3lambda*6*-thia-4-aza-tricyc lo[5.2.1.0*1,5*]decane-4-carbonyl)-bicyclo[2.2.1]heptane-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NO5S
InChI InChI=1S/C19H27NO5S/c1-18(2)12-5-6-19(18)9-26(24,25)20(13(19)8-12)16(21)14-10-3-4-11(7-10)15(14)17(22)23/h10-15H,3-9H2,1-2H3,(H,22,23)/t10-,11+,12-,13?,14-,15-,19-/m1/s1
InChIKey YMJFYBIUIGNATQ-GQNYVGOPSA-N
Molecular Weight 381.487 g/mol
SMILES OC([C@]1([C@](C(N2S(C[C@@]34C([C@](CC4)(CC23)[H])(C)C)(=O)=O)=O)([C@]2(C[C@@]1(CC2)[H])[H])[H])[H])=O
SPLASH splash10-014i-4985000000-68b4518a988e4c58e032
Source of Spectrum H-82-189-4
Synonyms (1S,2R,3R,4R)-3-[(10,10-dimethyl-3,3-dioxido-3-thia-4-azatricyclo[5.2.1.0(1,5)]dec-4-yl)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid 3-{[1',4',5',6',7',7'a-Hexahydro-8',8'-dimethyl-2',2'-dioxido-3H-3a,6-methano[2.1]benzisothiazol-1'-yl]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid
Wiley ID 754414