| SpectraBase Spectrum ID |
I9IkLw5ATtM |
| Name |
Methyl 3-chloro-5-[(E)-3,7-dimethyl-2,6-octadienyl]-4,6-dimethoxy-2-methylbenzoate |
| Comments |
Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C21H29ClO4 - which differs from the formula reported for the mass spectrum (C21H31ClO4) |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H31ClO4 |
| InChI |
InChI=1S/C21H29ClO4/c1-13(2)9-8-10-14(3)11-12-16-19(24-5)17(21(23)26-7)15(4)18(22)20(16)25-6/h9,11H,8,10,12H2,1-7H3/b14-11+ |
| InChIKey |
BZXTVEVPNAXSCD-SDNWHVSQSA-N |
| Molecular Weight |
380.912 g/mol |
| SMILES |
c1(Cl)c(c(C(=O)OC)c(c(c1OC)C\C=C\(CCC=C(C)C)C)OC)C |
| SPLASH |
splash10-001i-0009000000-5a447a084cb477780a42 |
| Source of Spectrum |
AJ-67-1182-16 |
| Wiley ID |
772698 |
![Methyl 3-chloro-5-[(E)-3,7-dimethyl-2,6-octadienyl]-4,6-dimethoxy-2-methylbenzoate](/api/spectrum/I9IkLw5ATtM/structure.png?h=300&w=458 "Methyl 3-chloro-5-[(E)-3,7-dimethyl-2,6-octadienyl]-4,6-dimethoxy-2-methylbenzoate")
