| SpectraBase Spectrum ID |
JqwOrRelJyP |
| Name |
(1.alpha.,6.beta.,7.alpha.)-7-Isocyanato-5,5,7-trimethylbicyclo[4.2.0]octan-2-one |
| Alternate Name(s) |
(1S,6S,7S)-7-isocyanato-5,5,7-trimethylbicyclo[4.2.0]octan-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H17NO2 |
| InChI |
InChI=1S/C12H17NO2/c1-11(2)5-4-9(15)8-6-12(3,10(8)11)13-7-14/h8,10H,4-6H2,1-3H3/t8-,10+,12+/m1/s1 |
| InChIKey |
IVZFKCYKYGHXRV-QRTLGDNMSA-N |
| Molecular Weight |
207.273 g/mol |
| SMILES |
[C@@]1([C@@]2(C(CCC([C@]2(C1)[H])=O)(C)C)[H])(N=C=O)C |
| SPLASH |
splash10-004i-0900000000-8fb535a7b0c7975bbf81 |
| Source of Spectrum |
H-90-1459-5 |
| Wiley ID |
1590839 |
![(1.alpha.,6.beta.,7.alpha.)-7-Isocyanato-5,5,7-trimethylbicyclo[4.2.0]octan-2-one](/api/spectrum/JqwOrRelJyP/structure.png?h=300&w=458 "(1.alpha.,6.beta.,7.alpha.)-7-Isocyanato-5,5,7-trimethylbicyclo[4.2.0]octan-2-one")
