| SpectraBase Spectrum ID |
BrjcoVRSQ1T |
| Name |
3-(2'-Nitroethyl)-1-methyl-4-[3'-hydroxy-1'-propyn-1'-yl]indole |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H14N2O3 |
| InChI |
InChI=1S/C14H14N2O3/c1-15-10-12(7-8-16(18)19)14-11(5-3-9-17)4-2-6-13(14)15/h2,4,6,10,17H,7-9H2,1H3 |
| InChIKey |
PMKNGCLKUFPHRC-UHFFFAOYSA-N |
| Molecular Weight |
258.277 g/mol |
| SMILES |
OCC#Cc1c2c(c[n](c2ccc1)C)CCN(=O)=O |
| SPLASH |
splash10-0a4i-0390000000-1b6beee36510d8161db0 |
| Source of Spectrum |
H1-36-2243-3 |
| Synonyms |
1-Methyl-4-(3-hydroxypropynyl)-3-(2-nitroethyl)indole
3-[1-methyl-3-(2-nitroethyl)-1H-indol-4-yl]-2-propyn-1-ol |
| Wiley ID |
755651 |
![3-(2'-Nitroethyl)-1-methyl-4-[3'-hydroxy-1'-propyn-1'-yl]indole](/api/spectrum/BrjcoVRSQ1T/structure.png?h=300&w=458 "3-(2'-Nitroethyl)-1-methyl-4-[3'-hydroxy-1'-propyn-1'-yl]indole")
