| SpectraBase Spectrum ID |
BnbGjJmjbPu |
| Name |
2,4,6-Cycloheptatrien-1-one, 2-(3-chloro-2,4,6-cycloheptatrien-1-yl)- |
| Alternate Name(s) |
2-(3-Chloro-2,4,6-cycloheptatrienyl)tropone
2-(3-chlorocyclohepta-2,4,6-trien-1-yl)cyclohepta-2,4,6-trien-1-one |
| CAS Registry Number |
128456-79-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H11ClO |
| InChI |
InChI=1S/C14H11ClO/c15-12-7-5-4-6-11(10-12)13-8-2-1-3-9-14(13)16/h1-11H |
| InChIKey |
YPMIIALWNFQBFW-UHFFFAOYSA-N |
| Molecular Weight |
230.694 g/mol |
| SMILES |
C=1(C2C=C(C=CC=C2)Cl)C(C=CC=CC1)=O |
| SPLASH |
splash10-014i-0930000000-24e80da83fcef398aade |
| Source of Spectrum |
KC-1990-844-13 |
| Wiley ID |
1231919 |
