| SpectraBase Spectrum ID |
DbjDW7IbwE1 |
| Name |
Isobutyric acid (9R,10R)-9-hydroxy-8,8-dimethyl-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one-10-yl ester |
| Appearance |
Colorless needles |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20O6 |
| InChI |
InChI=1S/C18H20O6/c1-9(2)17(21)23-15-13-11(24-18(3,4)16(15)20)7-5-10-6-8-12(19)22-14(10)13/h5-9,15-16,20H,1-4H3/t15-,16-/m1/s1 |
| InChIKey |
JHCPPFWOQPOFRF-HZPDHXFCSA-N |
| Instrument Name |
JEOL JMS-AX505HA |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1021/np010448t |
| Molecular Weight |
332.352 g/mol |
| Optical Rotation |
[a]D20 = +151 (c = 1, CHCl3) |
| SMILES |
O[C@@]1([C@@](c2c(OC1(C)C)ccc1c2OC(C=C1)=O)(OC(C(C)C)=O)[H])[H] |
| SPLASH |
splash10-004l-3591000000-6859d4b5c4bea4430966 |
| Source of Spectrum |
G4-65-SM8-2 |
| Wiley ID |
1883678 |
![Isobutyric acid (9R,10R)-9-hydroxy-8,8-dimethyl-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one-10-yl ester](/api/spectrum/DbjDW7IbwE1/structure.png?h=300&w=458 "Isobutyric acid (9R,10R)-9-hydroxy-8,8-dimethyl-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one-10-yl ester")
