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(S,R)-[2-Tert-butyl-4-(3,4,5-trimethoxyphenyl)-4-oxobut-1-yl]phenylsulfone samp-hydrazone
SpectraBase Compound ID 5yZNUApBPpL
InChI InChI=1S/C29H42N2O6S/c1-29(2,3)22(20-38(32,33)24-13-9-8-10-14-24)18-25(30-31-15-11-12-23(31)19-34-4)21-16-26(35-5)28(37-7)27(17-21)36-6/h8-10,13-14,16-17,22-23H,11-12,15,18-20H2,1-7H3/b30-25-/t22-,23-/m0/s1
InChIKey KHLATMMGSXVNPY-QGTWUVEHSA-N
Mol Weight 546.7 g/mol
Molecular Formula C29H42N2O6S
Exact Mass 546.276358 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KiVvQHDbhp1
Name (S,R)-[2-Tert-butyl-4-(3,4,5-trimethoxyphenyl)-4-oxobut-1-yl]phenylsulfone samp-hydrazone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 546.276358248 u
Formula C29H42N2O6S
InChI InChI=1S/C29H42N2O6S/c1-29(2,3)22(20-38(32,33)24-13-9-8-10-14-24)18-25(30-31-15-11-12-23(31)19-34-4)21-16-26(35-5)28(37-7)27(17-21)36-6/h8-10,13-14,16-17,22-23H,11-12,15,18-20H2,1-7H3/b30-25-/t22-,23-/m0/s1
InChIKey KHLATMMGSXVNPY-QGTWUVEHSA-N
Molecular Weight 546.723 g/mol
SMILES C(S(=O)(=O)C=1C=CC=CC1)[C@](C\C(=N\N1[C@](COC)(CCC1)[H])C1=CC(OC)=C(C(=C1)OC)OC)(C(C)(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.805795