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4H-1,2,4-triazole-3-thiol, 5-(phenoxymethyl)-4-(phenylmethyl)-

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4H-1,2,4-triazole-3-thiol, 5-(phenoxymethyl)-4-(phenylmethyl)-
SpectraBase Compound ID LSPJLnd6Yas
InChI InChI=1S/C16H15N3OS/c21-16-18-17-15(12-20-14-9-5-2-6-10-14)19(16)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,21)
InChIKey UBSDNTVPHQQNPN-UHFFFAOYSA-N
Mol Weight 297.38 g/mol
Molecular Formula C16H15N3OS
Exact Mass 297.093583 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A330cpHqx1T
Name 4H-1,2,4-triazole-3-thiol, 5-(phenoxymethyl)-4-(phenylmethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.093583288 u
Formula C16H15N3OS
InChI InChI=1S/C16H15N3OS/c21-16-18-17-15(12-20-14-9-5-2-6-10-14)19(16)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,21)
InChIKey UBSDNTVPHQQNPN-UHFFFAOYSA-N
Molecular Weight 297.376 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4174
Solvent DMSO-d6
Source Vendor ID: NMR/9263630; Lab Info: LP; Lab Number: LP-2190916
Temperature 29.85 °C