| SpectraBase Spectrum ID |
PM1FGGV19L |
| Name |
E / Z -3-{3'-(3",3"-Dimethyl-1"-butynyl) benzothiophen-2'-yl) -2-oxiranecarbonitrile |
| Alternate Name(s) |
3-[3-(3,3-dimethyl-1-butynyl)-1-benzothien-2-yl]-2-oxiranecarbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H15NOS |
| InChI |
InChI=1S/C17H15NOS/c1-17(2,3)9-8-12-11-6-4-5-7-14(11)20-16(12)15-13(10-18)19-15/h4-7,13,15H,1-3H3 |
| InChIKey |
ZJZUPJPJDHLNJN-UHFFFAOYSA-N |
| Molecular Weight |
281.373 g/mol |
| SMILES |
c1(C2OC2C#N)c(C#CC(C)(C)C)c2ccccc2s1 |
| SPLASH |
splash10-0a59-9080000000-c983e882d6cf56cf9f86 |
| Source of Spectrum |
K-126-989-18 |
| Wiley ID |
1284962 |
