| SpectraBase Spectrum ID |
GlX2O3Mfr7o |
| Name |
1,7-Dihydroxy-2-hydroxymethyl-anthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.052823417 u |
| Formula |
C15H10O5 |
| InChI |
InChI=1S/C15H10O5/c16-6-7-1-3-10-12(13(7)18)15(20)11-5-8(17)2-4-9(11)14(10)19/h1-5,16-18H,6H2 |
| InChIKey |
MUOKKIBJXZIBHO-UHFFFAOYSA-N |
| SMILES |
C1(O)=C(CO)C=CC=2C(=O)C3=CC=C(O)C=C3C(=O)C12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898612 |
