| SpectraBase Spectrum ID |
2ctm05ihdQR |
| Name |
1,3,4,6-Pentalenetetracarboxylic acid, 1,3A,4,6A-tetrahydro-2,5-dihydroxy-, tetramethyl ester, (1.alpha.,3A.alpha.,4.alpha.,6A.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.089996770 u |
| Formula |
C16H18O10 |
| InChI |
InChI=1S/C16H18O10/c1-23-13(19)7-5-6(9(11(7)17)15(21)25-3)10(16(22)26-4)12(18)8(5)14(20)24-2/h5-7,10,17-18H,1-4H3/t5-,6+,7+,10+/m1/s1 |
| InChIKey |
JUEJDJDJLNTBRF-NUMRIWBASA-N |
| Molecular Weight |
370.310 g/mol |
| SMILES |
C1(=C([C@@](C(=O)OC)([C@@]2(C(C(=O)OC)=C([C@]([C@]12[H])(C(=O)OC)[H])O)[H])[H])O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865222 |
