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Benzamide, N-(2,3,3a,4,7,7a-hexahydro-2-methyl-1,3-dioxo-1H-isoindol-4-yl)-2-iodo-N-(phenylmethyl)-, (3a.alpha.,4.beta.,7a.alpha.)-

View entire compound with spectra: 1 MS (GC)

Benzamide, N-(2,3,3a,4,7,7a-hexahydro-2-methyl-1,3-dioxo-1H-isoindol-4-yl)-2-iodo-N-(phenylmethyl)-, (3a.alpha.,4.beta.,7a.alpha.)-
SpectraBase Compound ID 3u1HSfuTUmY
InChI InChI=1S/C23H21IN2O3/c1-25-21(27)17-11-7-13-19(20(17)23(25)29)26(14-15-8-3-2-4-9-15)22(28)16-10-5-6-12-18(16)24/h2-10,12-13,17,19-20H,11,14H2,1H3/t17-,19+,20-/m0/s1
InChIKey VMUKAWKLMPUHFQ-SXLOBPIMSA-N
Mol Weight 500.34 g/mol
Molecular Formula C23H21IN2O3
Exact Mass 500.059688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9z0GTI9QH1a
Name Benzamide, N-(2,3,3a,4,7,7a-hexahydro-2-methyl-1,3-dioxo-1H-isoindol-4-yl)-2-iodo-N-(phenylmethyl)-, (3a.alpha.,4.beta.,7a.alpha.)-
CAS Registry Number 130278-54-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21IN2O3
InChI InChI=1S/C23H21IN2O3/c1-25-21(27)17-11-7-13-19(20(17)23(25)29)26(14-15-8-3-2-4-9-15)22(28)16-10-5-6-12-18(16)24/h2-10,12-13,17,19-20H,11,14H2,1H3/t17-,19+,20-/m0/s1
InChIKey VMUKAWKLMPUHFQ-SXLOBPIMSA-N
Molecular Weight 500.336 g/mol
SMILES [C@]12(C(N(C)C([C@]2(CC=C[C@]1(N(C(c1c(I)cccc1)=O)Cc1ccccc1)[H])[H])=O)=O)[H]
SPLASH splash10-00lr-2191000000-6e3dc887de2ac9bc6591
Source of Spectrum F-46-4013-39
Synonyms N-Benzyl-N-(3a,4,7,7a-tetrahydro-1,3-dioxo-2-methylisoindoline-4-yl)-2-iodobenzamide N-[(3aS,4R,7aS)-2-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl]-N-benzyl-2-iodobenzamide
Wiley ID 1398808