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5-{[(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthoyl)methyl]thio}-4-(p-methoxyphenyl)-4H-1,2,4-triazole-3-acetonitrile, monohydrobromide
SpectraBase Compound ID F1Bfs3tIQaV
InChI InChI=1S/C29H34N4O2S.BrH/c1-7-19-16-23-24(29(4,5)14-13-28(23,2)3)17-22(19)25(34)18-36-27-32-31-26(12-15-30)33(27)20-8-10-21(35-6)11-9-20;/h8-11,16-17H,7,12-14,18H2,1-6H3;1H
InChIKey DSUYBTZDABLLPE-UHFFFAOYSA-N
Mol Weight 583.589 g/mol
Molecular Formula C29H35BrN4O2S
Exact Mass 582.166411 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6CzwAFG6JXj
Name 5-{[(3-ETHYL-5,6,7,8-TETRAHYDRO-5,5,8,8-TETRAMETHYL-2-NAPHTHOYL)METHYL]THIO}-4-(p-METHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-ACETONITRILE, MONOHYDROBROMIDE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number HR 198
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H35BrN4O2S
InChI InChI=1S/C29H34N4O2S.BrH/c1-7-19-16-23-24(29(4,5)14-13-28(23,2)3)17-22(19)25(34)18-36-27-32-31-26(12-15-30)33(27)20-8-10-21(35-6)11-9-20;/h8-11,16-17H,7,12-14,18H2,1-6H3;1H
InChIKey DSUYBTZDABLLPE-UHFFFAOYSA-N
Melting Point 178-180C
Molecular Weight 583.594971
Synonyms TRIAZOLE-3-ACETONITRILE, 4H-1,2,4-, 5-///3-ETHYL-5,6,7,8-TETRAHYDRO- 5,5,8,8-TETRAMETHYL-2-NAPHTHOYL/- METHYL/THIO/-4-/P-METHOXYPHENYL/-, MONOHYDROBROMIDE
Technique KBr WAFER