| SpectraBase Spectrum ID |
FM32ariOC5q |
| Name |
(+)-Pinanediol (3-Phenyl-tetrahydropyridazino[1,2-a][1,2,4]triazolidine-2,4-dione)boronate |
| Alternate Name(s) |
(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]-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H26BN3O4 |
| InChI |
InChI=1S/C22H26BN3O4/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/h4-10,14,16-18H,11-13H2,1-3H3/t14-,16-,17+,18+,22-/m0/s1 |
| InChIKey |
ZGDQIHLCPUSLLZ-BECJMSAMSA-N |
| Molecular Weight |
407.277 g/mol |
| SMILES |
C1(N2N(C(N1c1ccccc1)=O)CC=C[C@@]2(B1O[C@]2([C@@]3(C(C)(C)[C@](C[C@]2(O1)[H])(C3)[H])[H])C)[H])=O |
| SPLASH |
splash10-056r-1039500000-f139dfe8f5ae676eed95 |
| Source of Spectrum |
KC-57-2308-8 |
| Wiley ID |
1623402 |
![(+)-Pinanediol (3-Phenyl-tetrahydropyridazino[1,2-a][1,2,4]triazolidine-2,4-dione)boronate](/api/spectrum/FM32ariOC5q/structure.png?h=300&w=458 "(+)-Pinanediol (3-Phenyl-tetrahydropyridazino[1,2-a][1,2,4]triazolidine-2,4-dione)boronate")
