| SpectraBase Spectrum ID |
B2GrKg0wCgq |
| Name |
4,5,6,7-Tetrahydro-3-(4'-chlorophenyl)-6,6-dimethyl-5,7-methylene bridge-2,1-benzisoxazole |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H16ClNO |
| InChI |
InChI=1S/C16H16ClNO/c1-16(2)10-7-12-14(13(16)8-10)18-19-15(12)9-3-5-11(17)6-4-9/h3-6,10,13H,7-8H2,1-2H3 |
| InChIKey |
NKLJDQIRQNYACO-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
273.763 g/mol |
| Optical Rotation |
[a]D28 = -70.0 (c = 0.05, CH3OH) |
| SMILES |
C12c3c(CC(C2(C)C)C1)c(on3)-c1ccc(cc1)Cl |
| SPLASH |
splash10-01p9-1950000000-de50e082577e82276750 |
| Source of Spectrum |
CN103980217B |
| Wiley ID |
1850235 |
