| SpectraBase Spectrum ID |
IwH2IcBLkro |
| Name |
1-(1'-Methyl-3'-hydroxybutyl)-2-oxocyclododecan-1-carbonitrile |
| CAS Registry Number |
112067-78-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H31NO2 |
| InChI |
InChI=1S/C18H31NO2/c1-15(13-16(2)20)18(14-19)12-10-8-6-4-3-5-7-9-11-17(18)21/h15-16,20H,3-13H2,1-2H3 |
| InChIKey |
PMNNWMNDZPHADP-UHFFFAOYSA-N |
| Molecular Weight |
293.451 g/mol |
| SMILES |
OC(CC(C1(C#N)C(=O)CCCCCCCCCC1)C)C |
| SPLASH |
splash10-05ng-9310000000-401768f673b70ad762b1 |
| Source of Spectrum |
H-70-313-10 |
| Synonyms |
diasteroisomer 1-(1'-Methyl-3'-hydroxybutyl)-2-oxocyclododecan-1-carbonitrile
1-(3-hydroxy-1-methylbutyl)-2-oxocyclododecanecarbonitrile |
| Wiley ID |
1296491 |
