| SpectraBase Spectrum ID |
AjToZKI9Vve |
| Name |
3-Allyl-1-methyl-indole-2-carboxylic acid |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
215.094628661 u |
| Formula |
C13H13NO2 |
| InChI |
InChI=1S/C13H13NO2/c1-3-6-10-9-7-4-5-8-11(9)14(2)12(10)13(15)16/h3-5,7-8H,1,6H2,2H3,(H,15,16) |
| InChIKey |
CBAVXVFUFDFZDN-UHFFFAOYSA-N |
| Instrument Name |
Waters GCT Premier CAB163 |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1002/anie.201712520 |
| Molecular Weight |
215.252 g/mol |
| Quality |
91 |
| Reported Formula |
C13H13NO2 |
| SMILES |
OC(C1=C(CC=C)C2=C(N1C)C=CC=C2)=O |
| SPLASH |
splash10-01b9-0970000000-021aacb572bfad500e4e |
| Source of Spectrum |
ACI-57-SM13-3ra (DOI: 10.1002/anie.201712520) |
| Wiley ID |
1893534 |
