| SpectraBase Spectrum ID |
AwEGT45RO9h |
| Name |
(S)-2-Phenyl-5-((1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28BN3O4 |
| InChI |
InChI=1S/C22H28BN3O4/c1-21(2)14-12-16(21)22(3)17(13-14)29-23(30-22)18-10-7-11-24-19(27)25(20(28)26(18)24)15-8-5-4-6-9-15/h4-6,8-9,14,16-18H,7,10-13H2,1-3H3/t14-,16-,17+,18+,22-/m0/s1 |
| InChIKey |
VXZCFMYWEMFKJJ-BECJMSAMSA-N |
| Molecular Weight |
409.293 g/mol |
| SMILES |
C1(N2N(C(N1c1ccccc1)=O)CCC[C@@]2(B1O[C@]2([C@@]3(C(C)(C)[C@](C[C@]2(O1)[H])(C3)[H])[H])C)[H])=O |
| SPLASH |
splash10-0b90-1922600000-cde14f3175a23915efb6 |
| Source of Spectrum |
KC-57-2308-9 |
| Synonyms |
(+)-Pinanediol (3-Phenylhexahydropyridazino[1,2-a][1,2,4]triazolidine-2,4-dione)boronate
(5S)-2-phenyl-5-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0(2,6)]dec-4-yl]tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione |
| Wiley ID |
1623461 |
![(S)-2-Phenyl-5-((1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione](/api/spectrum/AwEGT45RO9h/structure.png?h=300&w=458 "(S)-2-Phenyl-5-((1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione")
