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1-Benzyl rac-(2S,3aR,4S,7aS)-4-methyl-2-(furan-2-yl)-3,3a,4,5-tetrahydro-1H-indole-1,4(2H,7aH)-dicarboxylate
SpectraBase Compound ID 7jc9rLYAVyW
InChI InChI=1S/C22H23NO5/c1-22(20(24)25)11-5-9-17-16(22)13-18(19-10-6-12-27-19)23(17)21(26)28-14-15-7-3-2-4-8-15/h2-10,12,16-18H,11,13-14H2,1H3,(H,24,25)/t16-,17-,18-,22-/m0/s1
InChIKey BYEOMUSWZKQWBS-ORGXJRBJSA-N
Mol Weight 381.43 g/mol
Molecular Formula C22H23NO5
Exact Mass 381.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ueKy1EFMKg
Name 1-Benzyl rac-(2S,3aR,4S,7aS)-4-methyl-2-(furan-2-yl)-3,3a,4,5-tetrahydro-1H-indole-1,4(2H,7aH)-dicarboxylate
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Formula C22H23NO5
InChI InChI=1S/C22H23NO5/c1-22(20(24)25)11-5-9-17-16(22)13-18(19-10-6-12-27-19)23(17)21(26)28-14-15-7-3-2-4-8-15/h2-10,12,16-18H,11,13-14H2,1H3,(H,24,25)/t16-,17-,18-,22-/m0/s1
InChIKey BYEOMUSWZKQWBS-ORGXJRBJSA-N
Molecular Weight 381.428 g/mol
SMILES OC([C@@]1([C@@]2([C@@](N([C@@](C2)(c2occc2)[H])C(OCc2ccccc2)=O)(C=CC1)[H])[H])C)=O
SPLASH splash10-0007-3191000000-213d455670933b224532
Source of Spectrum U1-2011-6563-29
Wiley ID 1703050