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4-Allyl-5-[(2,3-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol, tms

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4-Allyl-5-[(2,3-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol, tms
SpectraBase Compound ID 7eqfklkv3uv
InChI InChI=1S/C17H25N3OSSi/c1-7-11-20-16(18-19-17(20)22-23(4,5)6)12-21-15-10-8-9-13(2)14(15)3/h7-10H,1,11-12H2,2-6H3
InChIKey INNKEGLGAIBWTM-UHFFFAOYSA-N
Mol Weight 347.55 g/mol
Molecular Formula C17H25N3OSSi
Exact Mass 347.14876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 58d5K7PRD7T
Name 4-Allyl-5-[(2,3-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol, tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.148760145 u
Formula C17H25N3OSSi
InChI InChI=1S/C17H25N3OSSi/c1-7-11-20-16(18-19-17(20)22-23(4,5)6)12-21-15-10-8-9-13(2)14(15)3/h7-10H,1,11-12H2,2-6H3
InChIKey INNKEGLGAIBWTM-UHFFFAOYSA-N
Molecular Weight 347.552 g/mol
SMILES C(OC1=C(C)C(C)=CC=C1)C=1N(CC=C)C(S[Si](C)(C)C)=NN1