| SpectraBase Spectrum ID |
IlO6DlbljnP |
| Name |
6-tert-butyl-1-azulenecarboxylic acid methyl ester |
| Alternate Name(s) |
6-tert-butylazulene-1-carboxylic acid methyl ester
methyl 6-tert-butylazulene-1-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18O2 |
| InChI |
InChI=1S/C16H18O2/c1-16(2,3)12-7-5-11-6-9-14(15(17)18-4)13(11)10-8-12/h5-10H,1-4H3 |
| InChIKey |
PRXIPSIXSOETRK-UHFFFAOYSA-N |
| Molecular Weight |
242.318 g/mol |
| SMILES |
c12c(ccc2ccc(cc1)C(C)(C)C)C(=O)OC |
| SPLASH |
splash10-03di-0090000000-fa82efd5a20b50b15347 |
| Source of Spectrum |
AJ-72-2547-14 |
| Wiley ID |
775172 |
