| SpectraBase Spectrum ID |
JCIi3wAd89m |
| Name |
6-Chloro-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid |
| Alternate Name(s) |
(1S,3aR)-6-Chloro-9-oxo-1,2,3,3a,4,9-hexahydro-pyrrolo[2,1-b]quinazoline-1-carboxylic acid
(1S,3aR)-6-chloro-9-oxo-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylic acid
(1S,3aR)-6-chloranyl-9-oxidanylidene-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-b]quinazoline-1-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H11ClN2O3 |
| InChI |
InChI=1S/C12H11ClN2O3/c13-6-1-2-7-8(5-6)14-10-4-3-9(12(17)18)15(10)11(7)16/h1-2,5,9-10,14H,3-4H2,(H,17,18)/t9-,10+/m0/s1 |
| InChIKey |
CXSLCDVLCAMOGL-VHSXEESVSA-N |
| Molecular Weight |
266.684 g/mol |
| SMILES |
N1c2cc(ccc2C(N2[C@](C(=O)O)(CC[C@]12[H])[H])=O)Cl |
| SPLASH |
splash10-00kr-0090000000-5ac58ccfd278e05e5345 |
| Source of Spectrum |
H1-51-1269-27 |
| Wiley ID |
817114 |
![6-Chloro-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid](/api/spectrum/JCIi3wAd89m/structure.png?h=300&w=458 "6-Chloro-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid")
