| SpectraBase Spectrum ID |
AUXBTxRVLQI |
| Name |
Pyrrolo[1,2,3-de]-1,4-benzoxazine-5-carbonitrile, 2,3-dihydro-3,6-dimethyl-, (.+-.)- |
| Alternate Name(s) |
3,6-dimethyl-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole-5-carbonitrile
5-Cyano-3,6-dimethyl-3,4-dihydropyrrolo[1,2,3-de]-2H-1,4-benzoxazine |
| CAS Registry Number |
113709-06-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12N2O |
| InChI |
InChI=1S/C13H12N2O/c1-8-7-16-12-5-3-4-10-9(2)11(6-14)15(8)13(10)12/h3-5,8H,7H2,1-2H3 |
| InChIKey |
NTZSGFAHPPAOJJ-UHFFFAOYSA-N |
| Molecular Weight |
212.252 g/mol |
| SMILES |
c1([n]2c3c(c1C)cccc3OCC2C)C#N |
| SPLASH |
splash10-03dj-0890000000-75dcd3521a27739ca0a4 |
| Source of Spectrum |
KC-1987-2084-21 |
| Wiley ID |
1211730 |
![Pyrrolo[1,2,3-de]-1,4-benzoxazine-5-carbonitrile, 2,3-dihydro-3,6-dimethyl-, (.+-.)-](/api/spectrum/AUXBTxRVLQI/structure.png?h=300&w=458 "Pyrrolo[1,2,3-de]-1,4-benzoxazine-5-carbonitrile, 2,3-dihydro-3,6-dimethyl-, (.+-.)-")
