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7,8-Diazatricyclo[4.3.0.02,5]non-8-ene-3,4-dicarboxylic acid, 7,9-diphenyl-, dimethyl ester, (1.alpha.,2.beta.,3.beta.,4.beta.,5.b eta.,6.alpha.)-
SpectraBase Compound ID 3vA9kPfVgCN
InChI InChI=1S/C23H22N2O4/c1-28-22(26)17-15-16(18(17)23(27)29-2)21-19(15)20(13-9-5-3-6-10-13)24-25(21)14-11-7-4-8-12-14/h3-12,15-19,21H,1-2H3/t15-,16+,17+,18-,19+,21+/m0/s1
InChIKey FWBNAZSKEQXECW-WKOMVXTHSA-N
Mol Weight 390.44 g/mol
Molecular Formula C23H22N2O4
Exact Mass 390.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJOobPxUIWK
Name 7,8-Diazatricyclo[4.3.0.02,5]non-8-ene-3,4-dicarboxylic acid, 7,9-diphenyl-, dimethyl ester, (1.alpha.,2.beta.,3.beta.,4.beta.,5.b eta.,6.alpha.)-
Alternate Name(s) 2,3-Diaza-2,4-diphenyl-7,8-dimethoxycarbonyl-tricyclo[3.4.0.0(6,9)]nonane dimethyl (1S,2R,3R,4S,5R,6R)-7,9-diphenyl-7,8-diazatricyclo[4.3.0.0(2,5)]non-8-ene-3,4-dicarboxylate
CAS Registry Number 100853-93-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N2O4
InChI InChI=1S/C23H22N2O4/c1-28-22(26)17-15-16(18(17)23(27)29-2)21-19(15)20(13-9-5-3-6-10-13)24-25(21)14-11-7-4-8-12-14/h3-12,15-19,21H,1-2H3/t15-,16+,17+,18-,19+,21+/m0/s1
InChIKey FWBNAZSKEQXECW-WKOMVXTHSA-N
Molecular Weight 390.439 g/mol
SMILES C1(=NN([C@]2([C@@]1([C@]1([C@@]2([C@@]([C@@]1(C(=O)OC)[H])(C(=O)OC)[H])[H])[H])[H])[H])c1ccccc1)c1ccccc1
SPLASH splash10-00di-0090000000-69e438fe0799a2f6b5da
Source of Spectrum K-118-4216-10
Wiley ID 1364932