| SpectraBase Spectrum ID |
2psBsAvGfOL |
| Name |
2-Methyl-3-(1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazol-5-yl)benzonitrile |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28N2O |
| InChI |
InChI=1S/C20H28N2O/c1-13-10-20(5,16-9-7-8-15(12-21)14(16)2)11-17-18(13)22(6)23-19(17,3)4/h7-9,13,17-18H,10-11H2,1-6H3 |
| InChIKey |
OAGWTPJIILZSMN-UHFFFAOYSA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Molecular Weight |
312.457 g/mol |
| SMILES |
C1(CC2C(N(OC2(C)C)C)C(C1)C)(C)c1cccc(c1C)C#N |
| SPLASH |
splash10-01ti-7903000000-093c11538a04ca8bab1a |
| Sample Comments |
Isomer 2 |
| Source of Spectrum |
CN114761385A |
| Wiley ID |
1884511 |
![2-Methyl-3-(1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazol-5-yl)benzonitrile](/api/spectrum/2psBsAvGfOL/structure.png?h=300&w=458 "2-Methyl-3-(1,3,3,5,7-pentamethyloctahydrobenzo[c]isoxazol-5-yl)benzonitrile")
