| SpectraBase Spectrum ID |
GrPSjhFQ8Ky |
| Name |
Anti-10-[3-chlor-2-(chlormethyl)propyl]-5,6,8,9-tetrahydro-5,9-methano-7H-benzocyclohepten-7-on |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.073470599 u |
| Formula |
C16H18Cl2O |
| InChI |
InChI=1S/C16H18Cl2O/c17-8-10(9-18)5-14-15-6-11(19)7-16(14)13-4-2-1-3-12(13)15/h1-4,10,14-16H,5-9H2 |
| InChIKey |
NLLWHODMVFAONE-UHFFFAOYSA-N |
| SMILES |
C1(C2C3=CC=CC=C3C1CC(=O)C2)CC(CCl)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956615 |
![Anti-10-[3-chlor-2-(chlormethyl)propyl]-5,6,8,9-tetrahydro-5,9-methano-7H-benzocyclohepten-7-on](/api/spectrum/GrPSjhFQ8Ky/structure.png?h=300&w=458 "Anti-10-[3-chlor-2-(chlormethyl)propyl]-5,6,8,9-tetrahydro-5,9-methano-7H-benzocyclohepten-7-on")
