| SpectraBase Spectrum ID |
1PQPBbaBmCp |
| Name |
(1R,2R,3aR,7aS)-7a-cyano-1-ethenyl-1,2,3,3a,4,5,6,7-octahydroindene-2-carboxylic acid |
| Alternate Name(s) |
(1R,2R,3aR,7aS)-7a-cyano-1-vinyl-1,2,3,3a,4,5,6,7-octahydroindene-2-carboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H17NO2 |
| InChI |
InChI=1S/C13H17NO2/c1-2-11-10(12(15)16)7-9-5-3-4-6-13(9,11)8-14/h2,9-11H,1,3-7H2,(H,15,16)/t9-,10-,11-,13+/m1/s1 |
| InChIKey |
UMYKGGHQBNFFQG-UZWSLXQKSA-N |
| Molecular Weight |
219.284 g/mol |
| SMILES |
OC([C@]1([C@]([C@]2([C@@](C1)(CCCC2)[H])C#N)(C=C)[H])[H])=O |
| SPLASH |
splash10-006t-9500000000-f689aa7023eafa6c9458 |
| Source of Spectrum |
J-61-3877-12 |
| Wiley ID |
1218955 |
