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3-Cyclohexene-1-carboxylic acid, 2-[(2-iodobenzoyl)(phenylmethyl)ami no]-, methyl ester, cis-
SpectraBase Compound ID 9SOWsVveSSq
InChI InChI=1S/C22H22INO3/c1-27-22(26)18-12-6-8-14-20(18)24(15-16-9-3-2-4-10-16)21(25)17-11-5-7-13-19(17)23/h2-5,7-11,13-14,18,20H,6,12,15H2,1H3/t18-,20+/m1/s1
InChIKey VKJZQBAXUQUKCC-QUCCMNQESA-N
Mol Weight 475.33 g/mol
Molecular Formula C22H22INO3
Exact Mass 475.064439 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBWkIhZeN7F
Name 3-Cyclohexene-1-carboxylic acid, 2-[(2-iodobenzoyl)(phenylmethyl)ami no]-, methyl ester, cis-
CAS Registry Number 130259-82-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22INO3
InChI InChI=1S/C22H22INO3/c1-27-22(26)18-12-6-8-14-20(18)24(15-16-9-3-2-4-10-16)21(25)17-11-5-7-13-19(17)23/h2-5,7-11,13-14,18,20H,6,12,15H2,1H3/t18-,20+/m1/s1
InChIKey VKJZQBAXUQUKCC-QUCCMNQESA-N
Molecular Weight 475.326 g/mol
SMILES C(N([C@@]1([C@](C(=O)OC)(CCC=C1)[H])[H])Cc1ccccc1)(c1c(I)cccc1)=O
SPLASH splash10-001l-1092000000-5f491893431eaa0fde95
Source of Spectrum F-46-4013-36
Synonyms Methyl (1R,2S)-2-[benzyl(2-iodobenzoyl)amino]-3-cyclohexene-1-carboxylate N-Benzyl-N-(methoxycarbonylcyclohex-5-enyl)-2-iodobenzamide
Wiley ID 1394082