| SpectraBase Spectrum ID |
1wrO3MGsLI |
| Name |
3,4-O-Isopentylidenequinic acid-1,5-lactone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H18O5 |
| InChI |
InChI=1S/C12H18O5/c1-3-12(4-2)16-8-6-11(14)5-7(9(8)17-12)15-10(11)13/h7-9,14H,3-6H2,1-2H3/t7-,8-,9+,11-/m1/s1 |
| InChIKey |
BLBATLZXHPGXQK-SDNRWEOFSA-N |
| Molecular Weight |
242.271 g/mol |
| SMILES |
O[C@@]12C(O[C@](C2)([C@]2([C@@](C1)(OC(CC)(CC)O2)[H])[H])[H])=O |
| SPLASH |
splash10-08fr-9150000000-ead8cb2669c74af55f7e |
| Source of Spectrum |
KD-13-1358-5 |
| Wiley ID |
1635399 |
