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5-O-(3-CHLOROBENZOYL)-2,3-O-ISOPROPYLIDENE-BETA-L-ALLOFURANURONO-6,1-LACTONE
SpectraBase Compound ID Qdb8m83aBg
InChI InChI=1S/C16H15ClO7/c1-16(2)23-10-9-11(14(19)22-15(21-9)12(10)24-16)20-13(18)7-4-3-5-8(17)6-7/h3-6,9-12,15H,1-2H3/t9-,10+,11-,12+,15-/m1/s1
InChIKey ZNZSPXUXVVNUHU-VNUHZKFNSA-N
Mol Weight 354.74 g/mol
Molecular Formula C16H15ClO7
Exact Mass 354.050631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ePt5P7SiWb
Name .beta.-L-Allofuranuronic acid, 2,3-O-(1-methylethylidene)-, .epsilon.-lactone, 5-(3-chlorobenzoate)
Alternate Name(s) 4,8-Epoxy-1,3-dioxolo[4,5-c]oxepin, .beta.-L-allofuranuronic acid deriv. (1R,2S,6S,7R,10R)-4,4-dimethyl-9-oxo-3,5,8,11-tetraoxatricyclo[5.3.1.0(2,6)]undecan-10-yl 3-chlorobenzoate 5-O-(3-chlorobenzoyl)-2,3-O-isopropylidene-.beta.-L-allofuranurono-6,1-lactone
CAS Registry Number 123155-50-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15ClO7
InChI InChI=1S/C16H15ClO7/c1-16(2)23-10-9-11(14(19)22-15(21-9)12(10)24-16)20-13(18)7-4-3-5-8(17)6-7/h3-6,9-12,15H,1-2H3/t9-,10+,11-,12+,15-/m1/s1
InChIKey ZNZSPXUXVVNUHU-VNUHZKFNSA-N
Molecular Weight 354.742 g/mol
SMILES [C@@]12([C@]3([C@](OC(O3)(C)C)([C@](O1)(OC([C@@]2(OC(c1cc(Cl)ccc1)=O)[H])=O)[H])[H])[H])[H]
SPLASH splash10-000i-1900000000-83ee6af020005234e102
Source of Spectrum H-72-282-5
Wiley ID 1344318