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N-[4-(2,4-Di-tert-pentylphenoxy)butyl]-1-hydroxy-4-(1-phenyl-1H-tetrazol-5-ylthio)-2-naphthalenecarboxamide
SpectraBase Compound ID E7eNzDrpU6j
InChI InChI=1S/C38H45N5O3S/c1-7-37(3,4)26-20-21-32(31(24-26)38(5,6)8-2)46-23-15-14-22-39-35(45)30-25-33(28-18-12-13-19-29(28)34(30)44)47-36-40-41-42-43(36)27-16-10-9-11-17-27/h9-13,16-21,24-25,44H,7-8,14-15,22-23H2,1-6H3,(H,39,45)
InChIKey CFRUNFQXALDGBM-UHFFFAOYSA-N
Mol Weight 651.9 g/mol
Molecular Formula C38H45N5O3S
Exact Mass 651.324312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KVuRP7sx3Bf
Name N-[4-(2,4-Di-tert-pentylphenoxy)butyl]-1-hydroxy-4-(1-phenyl-1H-tetrazol-5-ylthio)-2-naphthalenecarboxamide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 371564
CAS Registry Number 5084-12-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H45N5O3S
InChI InChI=1S/C38H45N5O3S/c1-7-37(3,4)26-20-21-32(31(24-26)38(5,6)8-2)46-23-15-14-22-39-35(45)30-25-33(28-18-12-13-19-29(28)34(30)44)47-36-40-41-42-43(36)27-16-10-9-11-17-27/h9-13,16-21,24-25,44H,7-8,14-15,22-23H2,1-6H3,(H,39,45)
InChIKey CFRUNFQXALDGBM-UHFFFAOYSA-N
Observed nucleus 1H
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-4-(1-phenyltetrazol-5-yl)sulfanylnaphthalene-2-carboxamide EINECS 225-796-9 SCHEMBL8088223
Wiley ID SIAL_1HNMR_007889