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[(2R,3S,5R)-5-cyano-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate
SpectraBase Compound ID Cqlz4loUmRU
InChI InChI=1S/C22H21NO5/c1-14-3-7-16(8-4-14)21(24)26-13-20-19(11-18(12-23)27-20)28-22(25)17-9-5-15(2)6-10-17/h3-10,18-20H,11,13H2,1-2H3/t18-,19+,20-/m1/s1
InChIKey CNZCFLNRRCOAAM-HSALFYBXSA-N
Mol Weight 379.41 g/mol
Molecular Formula C22H21NO5
Exact Mass 379.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2flIXefmebz
Name [(2R,3S,5R)-5-cyano-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate
CAS Registry Number 79827-72-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO5
InChI InChI=1S/C22H21NO5/c1-14-3-7-16(8-4-14)21(24)26-13-20-19(11-18(12-23)27-20)28-22(25)17-9-5-15(2)6-10-17/h3-10,18-20H,11,13H2,1-2H3/t18-,19+,20-/m1/s1
InChIKey CNZCFLNRRCOAAM-HSALFYBXSA-N
Molecular Weight 379.412 g/mol
SMILES C(O[C@@]1([C@](O[C@@](C#N)(C1)[H])(COC(c1ccc(cc1)C)=O)[H])[H])(c1ccc(cc1)C)=O
SPLASH splash10-00kf-7910000000-e08b9954195573c5ce4a
Source of Spectrum J-47-197-0
Synonyms [(2R,3S,5R)-5-cyano-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate [(2R,3S,5R)-5-cyano-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate 4-Methylbenzoic acid [(2R,3S,5R)-5-cyano-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester
Wiley ID 1359304