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acetamide, N-[2-[[2-[[4-(1-methylethyl)phenyl]amino]-2-oxoethyl]thio]-6-benzothiazolyl]-2-[[4-methyl-5-(2-naphthalenylmethyl)-4H-1,2,4-triazol-3-
SpectraBase Compound ID D7XyCfvhfvN
InChI InChI=1S/C34H32N6O2S3/c1-21(2)23-10-12-26(13-11-23)35-32(42)20-44-34-37-28-15-14-27(18-29(28)45-34)36-31(41)19-43-33-39-38-30(40(33)3)17-22-8-9-24-6-4-5-7-25(24)16-22/h4-16,18,21H,17,19-20H2,1-3H3,(H,35,42)(H,36,41)
InChIKey IBLWBVNDNGGYMA-UHFFFAOYSA-N
Mol Weight 652.8 g/mol
Molecular Formula C34H32N6O2S3
Exact Mass 652.174888 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3oHsEwFUzcS
Name acetamide, N-[2-[[2-[[4-(1-methylethyl)phenyl]amino]-2-oxoethyl]thio]-6-benzothiazolyl]-2-[[4-methyl-5-(2-naphthalenylmethyl)-4H-1,2,4-triazol-3-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 652.174887814 u
Formula C34H32N6O2S3
InChI InChI=1S/C34H32N6O2S3/c1-21(2)23-10-12-26(13-11-23)35-32(42)20-44-34-37-28-15-14-27(18-29(28)45-34)36-31(41)19-43-33-39-38-30(40(33)3)17-22-8-9-24-6-4-5-7-25(24)16-22/h4-16,18,21H,17,19-20H2,1-3H3,(H,35,42)(H,36,41)
InChIKey IBLWBVNDNGGYMA-UHFFFAOYSA-N
Molecular Weight 652.850 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_559
Solvent DMSO-d6
Source Vendor ID: ZI/8105400; Lab Info: LP; Lab Number: LP-0604525
Temperature 23.85 °C