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Benzyl 6-amino-5-cyano-4-(4-fluorophenyl)-2-methyl-4H-pyran-3-carboxylate
SpectraBase Compound ID BJ7x0Iet1xm
InChI InChI=1S/C21H17FN2O3/c1-13-18(21(25)26-12-14-5-3-2-4-6-14)19(17(11-23)20(24)27-13)15-7-9-16(22)10-8-15/h2-10,19H,12,24H2,1H3
InChIKey ZLJMANBOWMVHTF-UHFFFAOYSA-N
Mol Weight 364.38 g/mol
Molecular Formula C21H17FN2O3
Exact Mass 364.122321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXBt6m9USVA
Name Benzyl 6-amino-5-cyano-4-(4-fluorophenyl)-2-methyl-4H-pyran-3-carboxylate
CAS Registry Number 304878-87-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17FN2O3
InChI InChI=1S/C21H17FN2O3/c1-13-18(21(25)26-12-14-5-3-2-4-6-14)19(17(11-23)20(24)27-13)15-7-9-16(22)10-8-15/h2-10,19H,12,24H2,1H3
InChIKey ZLJMANBOWMVHTF-UHFFFAOYSA-N
Molecular Weight 364.376 g/mol
SMILES NC=1OC(=C(C(C1C#N)c1ccc(cc1)F)C(OCc1ccccc1)=O)C
SPLASH splash10-0006-9120000000-37f93014c6d2bc7327ba
Source of Spectrum AD-0-2532-0
Synonyms (phenylmethyl) 6-azanyl-5-cyano-4-(4-fluorophenyl)-2-methyl-4H-pyran-3-carboxylate 4H-Pyrane-3-carboxylic acid, 6-amino-5-cyano-4-(4-fluorophenyl)-2-methyl-, benzyl ester 6-Amino-5-cyano-4-(4-fluorophenyl)-2-methyl-4H-pyran-3-carboxylic acid (phenylmethyl) ester 6-Amino-5-cyano-4-(4-fluorophenyl)-2-methyl-4H-pyran-3-carboxylic acid benzyl ester
Wiley ID 1426492