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(1r*,3s*,4r*,6s*)-3-(((2,6-dichlorobenzyl)oxy)methyl)-4-iodo-3-methyl-2-oxabicyclo[4.4.0]decane
SpectraBase Compound ID 7ZEhtqRjcab
InChI InChI=1S/C18H23Cl2IO2/c1-18(11-22-10-13-14(19)6-4-7-15(13)20)17(21)9-12-5-2-3-8-16(12)23-18/h4,6-7,12,16-17H,2-3,5,8-11H2,1H3/t12-,16+,17+,18-/m0/s1
InChIKey OKNIQDKQDRSMFA-XKDXWZMYSA-N
Mol Weight 469.19 g/mol
Molecular Formula C18H23Cl2IO2
Exact Mass 468.01198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41B9ztJbaFM
Name (1r*,3s*,4r*,6s*)-3-(((2,6-dichlorobenzyl)oxy)methyl)-4-iodo-3-methyl-2-oxabicyclo[4.4.0]decane
CAS Registry Number 101858-85-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23Cl2IO2
InChI InChI=1S/C18H23Cl2IO2/c1-18(11-22-10-13-14(19)6-4-7-15(13)20)17(21)9-12-5-2-3-8-16(12)23-18/h4,6-7,12,16-17H,2-3,5,8-11H2,1H3/t12-,16+,17+,18-/m0/s1
InChIKey OKNIQDKQDRSMFA-XKDXWZMYSA-N
Molecular Weight 469.190 g/mol
SMILES [C@@]1(O[C@@]2(CCCC[C@]2(C[C@]1(I)[H])[H])[H])(COCc1c(Cl)cccc1Cl)C
SPLASH splash10-0ufu-0966000000-b34baf3dd2a179e05011
Source of Spectrum J-51-2236-9
Synonyms [(2S,3R,4aS,8aR)-3-iodo-2-methyloctahydro-2H-chromen-2-yl]methyl 2,6-dichlorobenzyl ether
Wiley ID 1392274