| SpectraBase Spectrum ID |
4qUAo8nuBSd |
| Name |
(sp)-4-Bromo-12-(4,4-dimethyl-4,5-dihydrooxazolyl)[2.2]paracyclophane |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.088477331 u |
| Formula |
C21H22BrNO |
| InChI |
InChI=1S/C21H22BrNO/c1-21(2)13-24-20(23-21)18-11-14-3-7-16(18)8-4-15-6-10-17(9-5-14)19(22)12-15/h3,6-7,10-12H,4-5,8-9,13H2,1-2H3 |
| InChIKey |
ZDAPMIGKJWRFNR-UHFFFAOYSA-N |
| Molecular Weight |
384.317 g/mol |
| SMILES |
C1(=NC(C)(C)CO1)C1=C2C=CC(=C1)CCC1=C(Br)C=C(CC2)C=C1 |
![(sp)-4-Bromo-12-(4,4-dimethyl-4,5-dihydrooxazolyl)[2.2]paracyclophane](/api/spectrum/4qUAo8nuBSd/structure.png?h=300&w=458 "(sp)-4-Bromo-12-(4,4-dimethyl-4,5-dihydrooxazolyl)[2.2]paracyclophane")
