| SpectraBase Spectrum ID |
77yWnO6teIZ |
| Name |
4a,8b-Epoxybiphenylen-1(2H)-one, octahydro-8a-(isocyanomethyl)-3,3-dimethyl-, (4a.alpha.,4b.alpha.,8a.alpha.,8b.alpha.)- |
| Alternate Name(s) |
2-{10,10-dimethyl-12-oxo-13-oxatetracyclo[6.4.1.0(1,8).0(2,7)]tridecan-2-yl}acetonitrile
4,4-Dimethyl-12-cyanomethyl-1,6-epoxy-tricyclo[6.4.0.0(12,7)]dodecan-1(6)-en-2-one |
| CAS Registry Number |
108392-82-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H21NO2 |
| InChI |
InChI=1S/C16H21NO2/c1-13(2)9-12(18)16-14(7-8-17)6-4-3-5-11(14)15(16,10-13)19-16/h11H,3-7,9-10H2,1-2H3 |
| InChIKey |
GMJHMWBGZKZVQK-UHFFFAOYSA-N |
| Molecular Weight |
259.349 g/mol |
| SMILES |
C123C(CC(C)(C)CC3=O)(O1)C1C2(CC#N)CCCC1 |
| SPLASH |
splash10-001i-9000000000-322b858cbdbc8509c164 |
| Source of Spectrum |
J-52-2352-26 |
| Wiley ID |
1262868 |
