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Ethyl 2-hydroxy-6-pentyl-4-[(1-phenyl-1H-tetraazol-5-yl)oxy]benzoate
SpectraBase Compound ID GP45l5xomVr
InChI InChI=1S/C21H24N4O4/c1-3-5-7-10-15-13-17(14-18(26)19(15)20(27)28-4-2)29-21-22-23-24-25(21)16-11-8-6-9-12-16/h6,8-9,11-14,26H,3-5,7,10H2,1-2H3
InChIKey OGIZXUXVPBREOR-UHFFFAOYSA-N
Mol Weight 396.45 g/mol
Molecular Formula C21H24N4O4
Exact Mass 396.179755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3n3fX1oeKYt
Name Ethyl 2-hydroxy-6-pentyl-4-[(1-phenyl-1H-tetraazol-5-yl)oxy]benzoate
CAS Registry Number 86791-42-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N4O4
InChI InChI=1S/C21H24N4O4/c1-3-5-7-10-15-13-17(14-18(26)19(15)20(27)28-4-2)29-21-22-23-24-25(21)16-11-8-6-9-12-16/h6,8-9,11-14,26H,3-5,7,10H2,1-2H3
InChIKey OGIZXUXVPBREOR-UHFFFAOYSA-N
Molecular Weight 396.447 g/mol
SMILES Oc1cc(cc(CCCCC)c1C(=O)OCC)Oc1nnn[n]1-c1ccccc1
SPLASH splash10-009g-2932000000-9a8688a20d3888b79f70
Source of Spectrum W5-1989-35606-29930
Synonyms 2-Amyl-6-hydroxy-4-(1-phenyltetrazol-5-yl)oxy-benzoic acid ethyl ester 2-Hydroxy-6-pentyl-4-[(1-phenyl-5-tetrazolyl)oxy]benzoic acid ethyl ester Ethyl 2-hydroxy-6-pentyl-4-(1-phenyltetrazol-5-yl)oxy-benzoate Ethyl 2-hydroxy-6-pentyl-4-[(1-phenyl-5-tetrazolyl)oxy]benzoate Ethyl 2-oxidanyl-6-pentyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]benzoate
Wiley ID 1367412