| SpectraBase Spectrum ID |
AzwRx7qaQ5Q |
| Name |
5-acetyl-2-adamantanecarbonitrile |
| Alternate Name(s) |
5-ethanoyladamantane-2-carbonitrile |
| CAS Registry Number |
116002-44-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H17NO |
| InChI |
InChI=1S/C13H17NO/c1-8(15)13-4-9-2-10(5-13)12(7-14)11(3-9)6-13/h9-12H,2-6H2,1H3/t9?,10-,11+,12+,13- |
| InChIKey |
QUFPRJCETOTHMS-FMVGHNBJSA-N |
| Molecular Weight |
203.285 g/mol |
| SMILES |
[C@]12(C[C@@]3(CC(C2)C[C@](C1)([C@@]3(C#N)[H])[H])[H])C(=O)C |
| SPLASH |
splash10-03di-0900000000-8a3eae91900a70d1ff68 |
| Source of Spectrum |
J-53-4373-19 |
| Wiley ID |
1201009 |
