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(1,2:5,6-Di-isopropylidene-.alpha.,D-glucofuranose-3-O-yl) 2-fluoro-3-cyclohexylidenepropanoate
SpectraBase Compound ID CPSMLDX5Q6y
InChI InChI=1S/C21H31FO7/c1-20(2)24-11-14(27-20)15-16(17-19(26-15)29-21(3,4)28-17)25-18(23)13(22)10-12-8-6-5-7-9-12/h10,13-17,19H,5-9,11H2,1-4H3/t13?,14-,15-,16+,17-,19-/m1/s1
InChIKey IHHRXEQCDVSBGT-ZRAUNAMOSA-N
Mol Weight 414.47 g/mol
Molecular Formula C21H31FO7
Exact Mass 414.205381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3YWvKwQ4okJ
Name (1,2:5,6-Di-isopropylidene-.alpha.,D-glucofuranose-3-O-yl) 2-fluoro-3-cyclohexylidenepropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31FO7
InChI InChI=1S/C21H31FO7/c1-20(2)24-11-14(27-20)15-16(17-19(26-15)29-21(3,4)28-17)25-18(23)13(22)10-12-8-6-5-7-9-12/h10,13-17,19H,5-9,11H2,1-4H3/t13?,14-,15-,16+,17-,19-/m1/s1
InChIKey IHHRXEQCDVSBGT-ZRAUNAMOSA-N
Molecular Weight 414.470 g/mol
SMILES [C@]12([C@]([C@@]([C@@]3(OC(C)(C)OC3)[H])(O[C@@]1(OC(O2)(C)C)[H])[H])(OC(C(C=C1CCCCC1)F)=O)[H])[H]
SPLASH splash10-0f7a-0679200000-35e7c3184efeb89ffbff
Source of Spectrum SO-0-435-8
Wiley ID 879100