| SpectraBase Spectrum ID |
4ZaJxStsgOK |
| Name |
(1S,6R,7S)-7-isocyanato-4,4,7-trimethyl-2-bicyclo[4.2.0]octanone |
| Alternate Name(s) |
(1S,6R,7S)-7-isocyanato-4,4,7-trimethyl-bicyclo[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)5-9-8(10(15)6-11)4-12(9,3)13-7-14/h8-9H,4-6H2,1-3H3/t8-,9+,12-/m0/s1 |
| InChIKey |
UNOQXFHBQBVPRQ-SBMIAAHKSA-N |
| Molecular Weight |
207.273 g/mol |
| SMILES |
[C@@]1([C@@]2(CC(C)(C)CC([C@]2(C1)[H])=O)[H])(N=C=O)C |
| SPLASH |
splash10-014i-9000000000-54fc9e81ae787f85bc73 |
| Source of Spectrum |
H-90-1459-5 |
| Wiley ID |
1590840 |
![(1S,6R,7S)-7-isocyanato-4,4,7-trimethyl-2-bicyclo[4.2.0]octanone](/api/spectrum/4ZaJxStsgOK/structure.png?h=300&w=458 "(1S,6R,7S)-7-isocyanato-4,4,7-trimethyl-2-bicyclo[4.2.0]octanone")
