| SpectraBase Spectrum ID |
2C804dP8dAp |
| Name |
Methyl (E)-2-[[(3-methylbenzoyl)methyl]-2-(4-cyanophenyl)]vinyl sulfide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H19NOS |
| InChI |
InChI=1S/C19H19NOS/c1-15-4-3-5-17(10-15)12-21-13-19(14-22-2)18-8-6-16(11-20)7-9-18/h3-10,14H,12-13H2,1-2H3/b19-14+ |
| InChIKey |
QPENWNQCBOQVTD-XMHGGMMESA-N |
| Molecular Weight |
309.427 g/mol |
| SMILES |
c1(\C(=C\SC)COCc2cc(C)ccc2)ccc(C#N)cc1 |
| SPLASH |
splash10-0a4i-0901000000-5cd4a06287b8527facc6 |
| Source of Spectrum |
J-63-541-9 |
| Synonyms |
Methyl (E)-2-[[(3-methylbenzyl-oxy)methyl]-2-(4-cyanophenyl)]vinyl sulfide |
| Wiley ID |
1310743 |
![Methyl (E)-2-[[(3-methylbenzoyl)methyl]-2-(4-cyanophenyl)]vinyl sulfide](/api/spectrum/2C804dP8dAp/structure.png?h=300&w=458 "Methyl (E)-2-[[(3-methylbenzoyl)methyl]-2-(4-cyanophenyl)]vinyl sulfide")
