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.alpha.-D-erythro-Pentofuranose, 3-(cyanomethylene)-3-deoxy-1,2-O-(1-methylethylidene)-, 5-benzoate, (E)-
SpectraBase Compound ID 2vYNW6fTK6o
InChI InChI=1S/C17H17NO5/c1-17(2)22-14-12(8-9-18)13(21-16(14)23-17)10-20-15(19)11-6-4-3-5-7-11/h3-8,13-14,16H,10H2,1-2H3/b12-8+/t13-,14-,16-/m1/s1
InChIKey RZGYFYLTHLVXGT-FTIFFILKSA-N
Mol Weight 315.33 g/mol
Molecular Formula C17H17NO5
Exact Mass 315.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAjgkO76gqz
Name .alpha.-D-erythro-Pentofuranose, 3-(cyanomethylene)-3-deoxy-1,2-O-(1-methylethylidene)-, 5-benzoate, (E)-
Alternate Name(s) Furo[2,3-d]-1,3-dioxole, .alpha.-D-erythro-pentofuranose deriv. trans-5-O-benzoyl-3-c-cyanomethylidene-3-deoxy-1,2-O-isopropylidene-.alpha.-D-erythro-pentofuranose [(3aR,5S,6E,6aR)-6-(cyanomethylidene)-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl]methyl benzoate
CAS Registry Number 64775-09-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO5
InChI InChI=1S/C17H17NO5/c1-17(2)22-14-12(8-9-18)13(21-16(14)23-17)10-20-15(19)11-6-4-3-5-7-11/h3-8,13-14,16H,10H2,1-2H3/b12-8+/t13-,14-,16-/m1/s1
InChIKey RZGYFYLTHLVXGT-FTIFFILKSA-N
Molecular Weight 315.325 g/mol
SMILES [C@@]12([C@@](\C(=C\C#N)[C@](O2)(COC(=O)c2ccccc2)[H])(OC(O1)(C)C)[H])[H]
SPLASH splash10-0a4i-0901000000-30f6886ba4b580e005d4
Source of Spectrum H-60-1986-0
Wiley ID 1315964