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.alpha.-D-Glucofuranose, 3-(cyanomethyl)-3-deoxy-1,2:5,6-bis-O-(1-methylethylidene)-3-[(phenylmethyl)amino]-
SpectraBase Compound ID H9HVPsPBCr6
InChI InChI=1S/C21H28N2O5/c1-19(2)24-13-15(26-19)16-21(10-11-22,23-12-14-8-6-5-7-9-14)17-18(25-16)28-20(3,4)27-17/h5-9,15-18,23H,10,12-13H2,1-4H3/t15-,16-,17+,18-,21+/m1/s1
InChIKey YHEDYEGZFKDTDE-YKGACUOXSA-N
Mol Weight 388.46 g/mol
Molecular Formula C21H28N2O5
Exact Mass 388.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHbToU3imhf
Name .alpha.-D-Glucofuranose, 3-(cyanomethyl)-3-deoxy-1,2:5,6-bis-O-(1-methylethylidene)-3-[(phenylmethyl)amino]-
Alternate Name(s) 2-[(3aR,5S,6S,6aR)-6-(benzylamino)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-yl]acetonitrile
CAS Registry Number 43225-62-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2O5
InChI InChI=1S/C21H28N2O5/c1-19(2)24-13-15(26-19)16-21(10-11-22,23-12-14-8-6-5-7-9-14)17-18(25-16)28-20(3,4)27-17/h5-9,15-18,23H,10,12-13H2,1-4H3/t15-,16-,17+,18-,21+/m1/s1
InChIKey YHEDYEGZFKDTDE-YKGACUOXSA-N
Molecular Weight 388.464 g/mol
SMILES N([C@@]1([C@@]2([C@@](OC(O2)(C)C)(O[C@@]1([C@@]1(OC(C)(C)OC1)[H])[H])[H])[H])CC#N)Cc1ccccc1
SPLASH splash10-0udl-5900000000-5a099f5ffd500372cef5
Source of Spectrum W5-0-0-0
Wiley ID 1363814