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2-O-Acetyl-4-O-benzoyl-3-O-trichloroacetimidoyl-.alpha.,L-rhamnopyranosyl- trichloroacetimidate
SpectraBase Compound ID IqtSrnEknc7
InChI InChI=1S/C19H18Cl6N2O7/c1-8-11(32-14(29)10-6-4-3-5-7-10)12(33-16(26)18(20,21)22)13(31-9(2)28)15(30-8)34-17(27)19(23,24)25/h3-8,11-13,15,26-27H,1-2H3/t8-,11-,12+,13+,15-/m0/s1
InChIKey APIYMSRJFXBQIL-WHTBPNCESA-N
Mol Weight 599.1 g/mol
Molecular Formula C19H18Cl6N2O7
Exact Mass 595.924517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3uBhKWKYmHI
Name 2-O-Acetyl-4-O-benzoyl-3-O-trichloroacetimidoyl-.alpha.,L-rhamnopyranosyl- trichloroacetimidate
Alternate Name(s) 2-O-acetyl-4-O-benzoyl-6-deoxy-1,3-bis-O-(2,2,2-trichloroethanimidoyl)hexopyranose Benzoic acid 5-acetoxy-2-methyl-4,6-bis-(2,2,2-trichloro-acetimidoyloxy)-tetrahydro-pyran-3-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18Cl6N2O7
InChI InChI=1S/C19H18Cl6N2O7/c1-8-11(32-14(29)10-6-4-3-5-7-10)12(33-16(26)18(20,21)22)13(31-9(2)28)15(30-8)34-17(27)19(23,24)25/h3-8,11-13,15,26-27H,1-2H3/t8-,11-,12+,13+,15-/m0/s1
InChIKey APIYMSRJFXBQIL-WHTBPNCESA-N
Molecular Weight 599.078 g/mol
SMILES N=C(O[C@]1([C@@]([C@](OC(C(Cl)(Cl)Cl)=N)([C@]([C@@](O1)(C)[H])(OC(=O)c1ccccc1)[H])[H])(OC(=O)C)[H])[H])C(Cl)(Cl)Cl
SPLASH splash10-001i-9300000000-5ca22c551d302bca9aaf
Source of Spectrum KC-0-1450-20
Wiley ID 830500