| SpectraBase Spectrum ID |
1RfNqsJHUlh |
| Name |
1-tert-butyl-3,5-bis(isothiocyanatomethyl)benzene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H16N2S2 |
| InChI |
InChI=1S/C14H16N2S2/c1-14(2,3)13-5-11(7-15-9-17)4-12(6-13)8-16-10-18/h4-6H,7-8H2,1-3H3 |
| InChIKey |
VPYCJXXYOHCEBP-UHFFFAOYSA-N |
| Molecular Weight |
276.416 g/mol |
| SMILES |
C(N=C=S)c1cc(C(C)(C)C)cc(c1)CN=C=S |
| SPLASH |
splash10-014i-0090000000-71531d62fbf185c97fe3 |
| Source of Spectrum |
J-63-7488-14 |
| Wiley ID |
1279914 |
