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2-[2-(1-Benzenesulfhonyl-3-methyl-2,3-dihydro-1H-indole-3-ylmethyl)allyl]-5-methyl-4-phenyl-1,3,3a.alpha.,4.beta.,6.alpha..beta.,6a.alpha.-hexahydropyrrolo[3,4-c]pyrrole-1,3-dione
SpectraBase Compound ID 9SdHxFv064d
InChI InChI=1S/C32H33N3O4S/c1-22(19-34-30(36)25-20-33(3)29(28(25)31(34)37)23-12-6-4-7-13-23)18-32(2)21-35(27-17-11-10-16-26(27)32)40(38,39)24-14-8-5-9-15-24/h4-17,25,28-29H,1,18-21H2,2-3H3/t25?,28?,29-,32?/m1/s1
InChIKey GLOWCEZZSIMNMO-VUSNLOCXSA-N
Mol Weight 555.7 g/mol
Molecular Formula C32H33N3O4S
Exact Mass 555.219178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IiOgs1pevi3
Name 2-[2-(1-Benzenesulfhonyl-3-methyl-2,3-dihydro-1H-indole-3-ylmethyl)allyl]-5-methyl-4-phenyl-1,3,3a.alpha.,4.beta.,6.alpha..beta.,6a.alpha.-hexahydropyrrolo[3,4-c]pyrrole-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H33N3O4S
InChI InChI=1S/C32H33N3O4S/c1-22(19-34-30(36)25-20-33(3)29(28(25)31(34)37)23-12-6-4-7-13-23)18-32(2)21-35(27-17-11-10-16-26(27)32)40(38,39)24-14-8-5-9-15-24/h4-17,25,28-29H,1,18-21H2,2-3H3/t25?,28?,29-,32?/m1/s1
InChIKey GLOWCEZZSIMNMO-VUSNLOCXSA-N
Molecular Weight 555.693 g/mol
SMILES C1(N(C(C2CN([C@@](C12)(c1ccccc1)[H])C)=O)CC(CC1(CN(S(=O)(=O)c2ccccc2)c2c1cccc2)C)=C)=O
SPLASH splash10-024i-4490600000-715479357f4a44715698
Source of Spectrum KC-57-7987-12
Wiley ID 1625804