| SpectraBase Spectrum ID |
CXoUN7Aaw8P |
| Name |
1-(2-phenylethynyl)-1-cyclohexanecarboxylic acid methyl ester |
| Alternate Name(s) |
1-(2-phenylethynyl)cyclohexanecarboxylic acid methyl ester
methyl 1-(2-phenylethynyl)cyclohexane-1-carboxylate
methyl 1-(2-phenylethynyl)cyclohexanecarboxylate |
| CAS Registry Number |
83188-25-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18O2 |
| InChI |
InChI=1S/C16H18O2/c1-18-15(17)16(11-6-3-7-12-16)13-10-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,11-12H2,1H3 |
| InChIKey |
LZUROKVLAOPRCZ-UHFFFAOYSA-N |
| Molecular Weight |
242.318 g/mol |
| SMILES |
C(#Cc1ccccc1)C1(C(=O)OC)CCCCC1 |
| SPLASH |
splash10-001l-0950000000-c9023f967116bc46b74d |
| Source of Spectrum |
C-106-3560-0 |
| Wiley ID |
1245513 |
