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Benzamide, N-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4-isobenzofuranyl)-2-iodo-N-(phenylmethyl)-, (3a.alpha.,4.beta.,7a.alpha.)-

View entire compound with spectra: 1 MS (GC)

Benzamide, N-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4-isobenzofuranyl)-2-iodo-N-(phenylmethyl)-, (3a.alpha.,4.beta.,7a.alpha.)-
SpectraBase Compound ID CSmP6EBqDhz
InChI InChI=1S/C22H18INO4/c23-17-11-5-4-9-15(17)20(25)24(13-14-7-2-1-3-8-14)18-12-6-10-16-19(18)22(27)28-21(16)26/h1-9,11-12,16,18-19H,10,13H2/t16-,18+,19-/m0/s1
InChIKey LGAGUFBSLXOMMZ-UHOSZYNNSA-N
Mol Weight 487.29 g/mol
Molecular Formula C22H18INO4
Exact Mass 487.028053 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4NRGGcP9PJ
Name Benzamide, N-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4-isobenzofuranyl)-2-iodo-N-(phenylmethyl)-, (3a.alpha.,4.beta.,7a.alpha.)-
CAS Registry Number 130259-85-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18INO4
InChI InChI=1S/C22H18INO4/c23-17-11-5-4-9-15(17)20(25)24(13-14-7-2-1-3-8-14)18-12-6-10-16-19(18)22(27)28-21(16)26/h1-9,11-12,16,18-19H,10,13H2/t16-,18+,19-/m0/s1
InChIKey LGAGUFBSLXOMMZ-UHOSZYNNSA-N
Molecular Weight 487.293 g/mol
SMILES [C@]12(C(OC([C@]2(CC=C[C@]1(N(C(c1c(I)cccc1)=O)Cc1ccccc1)[H])[H])=O)=O)[H]
SPLASH splash10-001r-5394000000-dd827efd489d6e943b1a
Source of Spectrum F-46-4013-39
Synonyms N-Benzyl-N-(1,3,3a,4,7,7a-hexahydro-1,3-dioxoisobenzofuran-4-yl)-2-iodobenzamide N-[(3aS,4R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-4-yl]-N-benzyl-2-iodobenzamide
Wiley ID 1396671