| SpectraBase Spectrum ID |
1PXUidve4ow |
| Name |
penbutolol-B-butyl-(N,B,O)cycloboronate derivative |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H36BNO2 |
| InChI |
InChI=1S/C22H36BNO2/c1-5-6-15-23-24(22(2,3)4)16-19(26-23)17-25-21-14-10-9-13-20(21)18-11-7-8-12-18/h9-10,13-14,18-19H,5-8,11-12,15-17H2,1-4H3 |
| InChIKey |
JOBUJCOHIBBISJ-UHFFFAOYSA-N |
| Molecular Weight |
357.345 g/mol |
| SMILES |
C1N(B(OC1COc1c(C2CCCC2)cccc1)CCCC)C(C)(C)C |
| SPLASH |
splash10-0006-0009000000-63b742a89661ebab6d7a |
| Source of Spectrum |
JC-488-364-0 |
| Synonyms |
(2-butyl-3-tert-butyl-1,3,2-oxazaborolidin-5-yl)methyl 2-cyclopentylphenyl ether
2-butyl-3-tert-butyl-5-[(2-cyclopentylphenoxy)methyl]-1,3,2-oxazaborolidine |
| Wiley ID |
1346599 |
