| SpectraBase Spectrum ID |
8yhcZ41AN8F |
| Name |
4,6-bis[(E)-2-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)vinyl]-2,2-difluoro-1-oxa-3-oxonia-2-boranuidacyclohexa-3,5-diene hydrate |
| Appearance |
Orange solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H23BBr2F2O7 |
| InChI |
InChI=1S/C27H21BBr2F2O6.H2O/c1-5-11-35-26-22(29)13-18(15-24(26)33-3)7-9-20-17-21(38-28(31,32)37-20)10-8-19-14-23(30)27(36-12-6-2)25(16-19)34-4;/h1-2,7-10,13-17H,11-12H2,3-4H3;1H2/b9-7+,10-8+; |
| InChIKey |
XXPIQOXASVTINU-CXDVKTACSA-N |
| Instrument Name |
SSQ 710 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.13.223 |
| Molecular Weight |
668.089 g/mol |
| SMILES |
O.c1(c(c(cc(c1)\C=C\C1=[O+][B-](OC(=C1)\C=C\c1cc(c(c(c1)OC)OCC#C)Br)(F)F)OC)OCC#C)Br |
| SPLASH |
splash10-0002-9000000000-a590f9505d0233802a0d |
| Source of Spectrum |
BJO-13-SM8-2c.H2O |
| Wiley ID |
1848255 |
![4,6-bis[(E)-2-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)vinyl]-2,2-difluoro-1-oxa-3-oxonia-2-boranuidacyclohexa-3,5-diene hydrate](/api/spectrum/8yhcZ41AN8F/structure.png?h=300&w=458 "4,6-bis[(E)-2-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)vinyl]-2,2-difluoro-1-oxa-3-oxonia-2-boranuidacyclohexa-3,5-diene hydrate")
