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1-(1-naphthalenyl)triazole-4,5-dicarboxylic acid ditert-butyl ester
SpectraBase Compound ID 4zeEX3efzAj
InChI InChI=1S/C22H25N3O4/c1-21(2,3)28-19(26)17-18(20(27)29-22(4,5)6)25(24-23-17)16-13-9-11-14-10-7-8-12-15(14)16/h7-13H,1-6H3
InChIKey NJKXAEPVKSVYEM-UHFFFAOYSA-N
Mol Weight 395.46 g/mol
Molecular Formula C22H25N3O4
Exact Mass 395.184506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6TgrsUcfNHX
Name 1-(1-naphthalenyl)triazole-4,5-dicarboxylic acid ditert-butyl ester
Alternate Name(s) 1-(1-naphthyl)triazole-4,5-dicarboxylic acid ditert-butyl ester ditert-butyl 1-(1-naphthyl)triazole-4,5-dicarboxylate ditert-butyl 1-naphthalen-1-yl-1,2,3-triazole-4,5-dicarboxylate ditert-butyl 1-naphthalen-1-yltriazole-4,5-dicarboxylate
CAS Registry Number 91165-88-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N3O4
InChI InChI=1S/C22H25N3O4/c1-21(2,3)28-19(26)17-18(20(27)29-22(4,5)6)25(24-23-17)16-13-9-11-14-10-7-8-12-15(14)16/h7-13H,1-6H3
InChIKey NJKXAEPVKSVYEM-UHFFFAOYSA-N
Molecular Weight 395.459 g/mol
SMILES CC(C)(C)OC(c1c(C(=O)OC(C)(C)C)[n](-c2cccc3ccccc23)nn1)=O
SPLASH splash10-0bt9-9461000000-e885ad93f946333e3238
Source of Spectrum AJ-60-2933-2
Wiley ID 1367068