| SpectraBase Spectrum ID |
DoKMpGK03GP |
| Name |
6-Chloro-7-chloromethyl-5,6,7,8-tetrahydrodibenzo[A,C]cycloheptene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.062905915 u |
| Formula |
C16H16Cl2 |
| InChI |
InChI=1S/C16H16Cl2/c17-10-15-14-8-4-3-7-13(14)12-6-2-1-5-11(12)9-16(15)18/h1-7,14-16H,8-10H2 |
| InChIKey |
DZADKKFLENTUCB-UHFFFAOYSA-N |
| SMILES |
C=12C(C(C(Cl)CC=3C2=CC=CC3)CCl)CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939135 |
![6-Chloro-7-chloromethyl-5,6,7,8-tetrahydrodibenzo[a,c]cycloheptene](/api/spectrum/DoKMpGK03GP/structure.png?h=300&w=458 "6-Chloro-7-chloromethyl-5,6,7,8-tetrahydrodibenzo[a,c]cycloheptene")
