| SpectraBase Spectrum ID |
HBfrLxrF5Uc |
| Name |
3-Acetyl-5-methoxy-5-oxopentanoic acid |
| Appearance |
White crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H12O5 |
| InChI |
InChI=1S/C8H12O5/c1-5(9)6(3-7(10)11)4-8(12)13-2/h6H,3-4H2,1-2H3,(H,10,11)/t6-/m1/s1 |
| InChIKey |
GZSHKZRYBYMIIN-ZCFIWIBFSA-N |
| Instrument Name |
ThermoFinnigan MAT 95XP |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jccs.202200035 |
| Molecular Weight |
188.179 g/mol |
| Optical Rotation |
[a]D23 = +1 (c = 0.72, CH2Cl2) |
| SMILES |
OC(C[C@@](C(=O)C)(CC(=O)OC)[H])=O |
| SPLASH |
splash10-03dl-7900000000-75364a8d496110abb586 |
| Source of Spectrum |
QA-69-747-2 |
| Wiley ID |
1873516 |
