| SpectraBase Spectrum ID |
4A2crLNRqPm |
| Name |
(1S,6S,7S)-5-Oxobicyclo[4.2.0]octane-7-(endo)-carbonitrile |
| Alternate Name(s) |
(1S,6S,7S)-5-oxobicyclo[4.2.0]octane-7-carbonitrile
5-Oxobicyclo[4.2.0]octane-7-(endo)-carbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H11NO |
| InChI |
InChI=1S/C9H11NO/c10-5-7-4-6-2-1-3-8(11)9(6)7/h6-7,9H,1-4H2/t6-,7+,9-/m0/s1 |
| InChIKey |
DPMWOVFMTQLNPZ-OOZYFLPDSA-N |
| Molecular Weight |
149.193 g/mol |
| SMILES |
[C@@]1([C@]2(C(=O)CCC[C@]2(C1)[H])[H])(C#N)[H] |
| SPLASH |
splash10-0a4i-9200000000-815ac2eab4bf7cee430c |
| Source of Spectrum |
I-81-420-4 |
| Wiley ID |
1517398 |
![1-ALPHA,6-ALPHA-5-OXOBICYCLO-[4.2.0]-OCTANE-7-EXO-CARBONITRILE](/api/spectrum/4A2crLNRqPm/structure.png?h=300&w=458 "1-ALPHA,6-ALPHA-5-OXOBICYCLO-[4.2.0]-OCTANE-7-EXO-CARBONITRILE")
