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benzoic acid ,2,4-dichloro- ,2-iodo-2-(octahydro-2h-1-benzopyran-2-yl)ethyl ester ,[2.alpha.(s*),4a.beta.,8a.alpha.]-

View entire compound with spectra: 1 MS (GC)

benzoic acid ,2,4-dichloro- ,2-iodo-2-(octahydro-2h-1-benzopyran-2-yl)ethyl ester ,[2.alpha.(s*),4a.beta.,8a.alpha.]-
SpectraBase Compound ID FkZFYq58pYm
InChI InChI=1S/C18H21Cl2IO3/c19-12-6-7-13(14(20)9-12)18(22)23-10-15(21)17-8-5-11-3-1-2-4-16(11)24-17/h6-7,9,11,15-17H,1-5,8,10H2/t11-,15+,16+,17?/m1/s1
InChIKey BLZYFWBVILQTHG-HDYZBLAMSA-N
Mol Weight 483.17 g/mol
Molecular Formula C18H21Cl2IO3
Exact Mass 481.991245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgiOY0lcwi8
Name benzoic acid ,2,4-dichloro- ,2-iodo-2-(octahydro-2h-1-benzopyran-2-yl)ethyl ester ,[2.alpha.(s*),4a.beta.,8a.alpha.]-
CAS Registry Number 101859-03-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21Cl2IO3
InChI InChI=1S/C18H21Cl2IO3/c19-12-6-7-13(14(20)9-12)18(22)23-10-15(21)17-8-5-11-3-1-2-4-16(11)24-17/h6-7,9,11,15-17H,1-5,8,10H2/t11-,15+,16+,17?/m1/s1
InChIKey BLZYFWBVILQTHG-HDYZBLAMSA-N
Molecular Weight 483.173 g/mol
SMILES c1(C(OC[C@@](C2O[C@]3(CCCC[C@@]3(CC2)[H])[H])(I)[H])=O)c(cc(cc1)Cl)Cl
SPLASH splash10-00dr-0900000000-145597d5557abe68cf07
Source of Spectrum J-51-2238-31
Synonyms (2S)-2-[(4aR,8aS)-octahydro-2H-chromen-2-yl]-2-iodoethyl 2,4-dichlorobenzoate 2,4-Dichlorobenzoic acid[(2S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-1-benzopyran-2-yl]-2-iodoethyl]ester 2,4-Dichlorobenzoic acid[(2S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]-2-iodo-ethyl]ester [(2S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]-2-iodanyl-ethyl]2,4-bis(chloranyl)benzoate [(2S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]-2-iodo-ethyl]2,4-dichlorobenzoate 2,4-Dichlorobenzoic acid [(2S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-1-benzopyran-2-yl]-2-iodoethyl] ester [(2S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]-2-iodoethyl] 2,4-dichlorobenzoate [(2S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]-2-iodo-ethyl] 2,4-dichlorobenzoate [(2S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]-2-iodanyl-ethyl] 2,4-bis(chloranyl)benzoate
Wiley ID 1395489