| SpectraBase Spectrum ID |
BEItn1RKGKq |
| Name |
7'-Chloro-1'H-spiro[cyclopentane-1,2'-quinazolin]-4'(3'H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.071640746 u |
| Formula |
C12H13ClN2O |
| InChI |
InChI=1S/C12H13ClN2O/c13-8-3-4-9-10(7-8)14-12(15-11(9)16)5-1-2-6-12/h3-4,7,14H,1-2,5-6H2,(H,15,16) |
| InChIKey |
LMUBTBYIABZREW-UHFFFAOYSA-N |
| Molecular Weight |
236.702 g/mol |
| SMILES |
C12(CCCC2)NC2=CC(=CC=C2C(N1)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87728 |
![7'-Chloro-1'H-spiro[cyclopentane-1,2'-quinazolin]-4'(3'H)-one](/api/spectrum/BEItn1RKGKq/structure.png?h=300&w=458 "7'-Chloro-1'H-spiro[cyclopentane-1,2'-quinazolin]-4'(3'H)-one")
