| SpectraBase Spectrum ID |
DDQTcHX6r5f |
| Name |
Palmarumycin BG5 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.060801278 u |
| Formula |
C20H15ClO5 |
| InChI |
InChI=1S/C20H15ClO5/c21-17-18(23)16-11(6-3-7-12(16)22)20(19(17)24)25-13-8-1-4-10-5-2-9-14(26-20)15(10)13/h1-9,17-19,22-24H/t17-,18+,19-/m1/s1 |
| InChIKey |
HMNTVNBFGYYJPC-CEXWTWQISA-N |
| Molecular Weight |
370.788 g/mol |
| SMILES |
C12([C@@]([C@@]([C@@](O)(C=3C(=CC=CC23)O)[H])(Cl)[H])(O)[H])OC2=C3C(O1)=CC=CC3=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802474 |
