SpectraBase Spectrum ID |
BlHB17OFzoc |
Name |
1,4-Naphthoquinone, 2-acetyl-5,8-dihydroxy-3,6,7-trimethoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
322.068867403 u |
Formula |
C15H14O8 |
InChI |
InChI=1S/C15H14O8/c1-5(16)6-9(17)7-8(10(18)13(6)21-2)12(20)15(23-4)14(22-3)11(7)19/h17-18H,1-4H3 |
InChIKey |
PZBCZYCYMKYYSB-UHFFFAOYSA-N |
Molecular Weight |
322.269 g/mol |
SMILES |
C1(O)=C2C(=C(C(=C1C(C)=O)OC)O)C(=O)C(=C(C2=O)OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970527 |