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1,3,4,7-Tetrahydro-N-methyl-5,6-bis(benzoyloxy)-1-thioxoisoindolin-3-one
SpectraBase Compound ID Hjgq7tJI7Ja
InChI InChI=1S/C24H21NO5S/c1-25-22(27)20-15(14-19(26)29-16-8-4-2-5-9-16)12-13-18(21(20)23(25)31)24(28)30-17-10-6-3-7-11-17/h2-13,15,18,20-21H,14H2,1H3/t15-,18-,20-,21+/m1/s1
InChIKey AVOYITLUUYKLBY-SKBHOOIQSA-N
Mol Weight 435.49 g/mol
Molecular Formula C24H21NO5S
Exact Mass 435.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4U9ZQPS85jJ
Name 1,3,4,7-Tetrahydro-N-methyl-5,6-bis(benzoyloxy)-1-thioxoisoindolin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21NO5S
InChI InChI=1S/C24H21NO5S/c1-25-22(27)20-15(14-19(26)29-16-8-4-2-5-9-16)12-13-18(21(20)23(25)31)24(28)30-17-10-6-3-7-11-17/h2-13,15,18,20-21H,14H2,1H3/t15-,18-,20-,21+/m1/s1
InChIKey AVOYITLUUYKLBY-SKBHOOIQSA-N
Molecular Weight 435.494 g/mol
SMILES C1(N(C([C@@]2([C@](C=C[C@]([C@]12[H])(C(Oc1ccccc1)=O)[H])(CC(Oc1ccccc1)=O)[H])[H])=O)C)=S
SPLASH splash10-0a4i-0910000000-310366829685bb65110f
Source of Spectrum J-57-3990-15
Synonyms (3aR,4R,7S,7aR)-2-Methyl-1-oxo-7-phenoxycarbonylmethyl-3-thioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindole-4-carboxylic acid phenyl ester phenyl (3aR,4R,7S,7aR)-2-methyl-1-oxo-7-(2-oxo-2-phenoxyethyl)-3-thioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindole-4-carboxylate
Wiley ID 1383254