| SpectraBase Spectrum ID |
Ee2ae3WI4PN |
| Name |
2-[1'-Hydroxy-2',2'-dimethylpropyl)-3,5-dimethyl-3,4-hexadienenitrile |
| Alternate Name(s) |
(2E)-4-(1-hydroxy-2,2-dimethylpropyl)-3,5-dimethyl-2,4-hexadienenitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H21NO |
| InChI |
InChI=1S/C13H21NO/c1-9(2)11(10(3)7-8-14)12(15)13(4,5)6/h7,12,15H,1-6H3/b10-7+ |
| InChIKey |
KUEISLJFQJCCCB-JXMROGBWSA-N |
| Molecular Weight |
207.317 g/mol |
| SMILES |
OC(C(\C(=C\C#N)C)=C(C)C)C(C)(C)C |
| SPLASH |
splash10-052b-0960000000-1d8a7d337f80e875f46f |
| Source of Spectrum |
K-128-859-26 |
| Wiley ID |
1205978 |
