| SpectraBase Spectrum ID |
3iWeLyi3VpL |
| Name |
2-isocyano-4,5-dimethoxy-benzoic acid propyl ester |
| Alternate Name(s) |
propyl 2-isocyano-4,5-dimethoxy-benzoate
2-isocyano-4,5-dimethoxybenzoic acid propyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15NO4 |
| InChI |
InChI=1S/C13H15NO4/c1-5-6-18-13(15)9-7-11(16-3)12(17-4)8-10(9)14-2/h7-8H,5-6H2,1,3-4H3 |
| InChIKey |
PKGUCBCWGFRGRC-UHFFFAOYSA-N |
| Molecular Weight |
249.266 g/mol |
| SMILES |
C(c1c(cc(c(c1)OC)OC)[N+]#[C-])(=O)OCCC |
| SPLASH |
splash10-0a4i-0090000000-339fad27ca14287b1bc1 |
| Source of Spectrum |
C4-2001-603-3 |
| Wiley ID |
1520078 |
