| SpectraBase Spectrum ID |
H7O4iTBhZLE |
| Name |
2,4,6-Cycloheptatrien-1-one, 2-[3-(1,1-dimethylethyl)-2,4,6-cycloheptatrien-1-yl]- |
| Alternate Name(s) |
2-(3-t-butyl-2,4,6-cycloheptatrienyl)tropone
2-(3-tert-butylcyclohepta-2,4,6-trien-1-yl)cyclohepta-2,4,6-trien-1-one |
| CAS Registry Number |
128456-76-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20O |
| InChI |
InChI=1S/C18H20O/c1-18(2,3)15-10-8-7-9-14(13-15)16-11-5-4-6-12-17(16)19/h4-14H,1-3H3 |
| InChIKey |
ZNZHLMUULYNDON-UHFFFAOYSA-N |
| Molecular Weight |
252.357 g/mol |
| SMILES |
C=1(C2C=C(C(C)(C)C)C=CC=C2)C(C=CC=CC1)=O |
| SPLASH |
splash10-0f6t-0960000000-534aa3776b5be3bd6cdc |
| Source of Spectrum |
KC-1990-844-13 |
| Wiley ID |
1256383 |
