| SpectraBase Spectrum ID |
43Cf3MFt7wU |
| Name |
2-[6-hydroxy-1-(methoxycarbonyl)heptyl]acrylic acid |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H20O5 |
| InChI |
InChI=1S/C12H20O5/c1-8(13)6-4-5-7-10(12(16)17-3)9(2)11(14)15/h8,10,13H,2,4-7H2,1,3H3,(H,14,15) |
| InChIKey |
QSAIBULZNVPLAJ-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np034061x |
| Molecular Weight |
244.287 g/mol |
| Optical Rotation |
[a]D22 = -4.8 (c = 0.24, MeOH) |
| Reported Formula |
C12H20O5 |
| SMILES |
OC(C(C(CCCCC(C)O)C(OC)=O)=C)=O |
| SPLASH |
splash10-00kg-0910000000-b44163ba7492d67d949c |
| Source of Spectrum |
G4-67-1062-3 |
| Synonyms |
9-Hydroxyhexylitaconic acid-1-methyl ester |
| Wiley ID |
1884025 |
![9-HYDROXYHEXYLITACONIC_ACID-1-METHYLESTER;2-[6-HYDROXY-1-(METHOXYCARBONYL)-HEPTYL]-ACRYLIC_ACID](/api/spectrum/43Cf3MFt7wU/structure.png?h=300&w=458 "9-HYDROXYHEXYLITACONIC_ACID-1-METHYLESTER;2-[6-HYDROXY-1-(METHOXYCARBONYL)-HEPTYL]-ACRYLIC_ACID")
