| SpectraBase Spectrum ID |
KbLNx7ThgaH |
| Name |
11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 4,6-diformyl-3,8-dihydroxy-9-(hydroxymethyl)-1-methyl-11-oxo-, phenylmethyl ester |
| Alternate Name(s) |
benzyl 4,6-diformyl-3,8-dihydroxy-9-(hydroxymethyl)-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylate
Benzyl salazinate |
| CAS Registry Number |
56691-90-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H18O10 |
| InChI |
InChI=1S/C25H18O10/c1-12-7-17(29)14(8-26)21-18(12)25(32)35-23-16(10-28)20(30)19(15(9-27)22(23)34-21)24(31)33-11-13-5-3-2-4-6-13/h2-9,28-30H,10-11H2,1H3 |
| InChIKey |
WHOZZFQDRKKXSH-UHFFFAOYSA-N |
| Molecular Weight |
478.409 g/mol |
| SMILES |
Oc1c(c2c(C(Oc3c(c(c(c(c3O2)C=O)C(OCc2ccccc2)=O)O)CO)=O)c(c1)C)C=O |
| SPLASH |
splash10-0006-9000000000-32d68257dd5ae29c0b5d |
| Source of Spectrum |
B-28-1797-0 |
| Wiley ID |
1394709 |
![11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 4,6-diformyl-3,8-dihydroxy-9-(hydroxymethyl)-1-methyl-11-oxo-, phenylmethyl ester](/api/spectrum/KbLNx7ThgaH/structure.png?h=300&w=458 "11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 4,6-diformyl-3,8-dihydroxy-9-(hydroxymethyl)-1-methyl-11-oxo-, phenylmethyl ester")
