| SpectraBase Spectrum ID |
aPKrNCapc |
| Name |
Rhein MEAC |
| Classification |
Laxative |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
340.058302719 u |
| Formula |
C18H12O7 |
| InChI |
InChI=1S/C18H12O7/c1-8(19)25-13-7-9(18(23)24-2)6-11-15(13)17(22)14-10(16(11)21)4-3-5-12(14)20/h3-7,20H,1-2H3 |
| InChIKey |
RFUGFCYYWHTJHX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
340.287 g/mol |
| SMILES |
c1ccc2C(c3c(c(cc(c3)C(=O)OC)OC(C)=O)C(c2c1O)=O)=O |
| SPLASH |
splash10-0002-5391000000-b23fb0867be87c418bab |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_3570 |
