| SpectraBase Spectrum ID |
IBiAnv9EDHi |
| Name |
.beta.-D-Fructopyranosyl bromide, tetrakis(4-nitrobenzoate) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
838.024158280 u |
| Formula |
C34H23BrN4O17 |
| InChI |
InChI=1S/C34H23BrN4O17/c35-34(18-52-30(40)19-1-9-23(10-2-19)36(44)45)29(56-33(43)22-7-15-26(16-8-22)39(50)51)28(55-32(42)21-5-13-25(14-6-21)38(48)49)27(17-53-34)54-31(41)20-3-11-24(12-4-20)37(46)47/h1-16,27-29H,17-18H2 |
| InChIKey |
HDMZIYUNKRUSEE-UHFFFAOYSA-N |
| Molecular Weight |
839.473 g/mol |
| SMILES |
C1(C(OC(C2=CC=C(N(=O)=O)C=C2)=O)C(OC(C2=CC=C(N(=O)=O)C=C2)=O)COC1(COC(C1=CC=C(N(=O)=O)C=C1)=O)Br)OC(C=1C=CC(N(=O)=O)=CC1)=O |
