SpectraBase Compound ID | Ho3STjHKqKw |
---|---|
InChI | InChI=1S/C8H10S/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3/i1D |
InChIKey | PJUDFYDAJBQPEA-MICDWDOJSA-N |
Mol Weight | 139.23 g/mol |
Molecular Formula | C8H9DS |
Exact Mass | 139.056598 g/mol |
SpectraBase Spectrum ID | 3Rev2eiZxUQ |
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Name | [2-(Deuteriomethyl)phenyl]methanethiol |
Comments | Less than 3 mono-isotopic peaks |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C8H9DS |
InChI | InChI=1S/C8H10S/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3/i1D |
InChIKey | PJUDFYDAJBQPEA-MICDWDOJSA-N |
Molecular Weight | 139.234 g/mol |
SMILES | SCc1c(C[D])cccc1 |
SPLASH | splash10-0a4i-0900000000-512436d276ab80ff9369 |
Source of Spectrum | J-61-1861-3 |
Wiley ID | 1137936 |