| SpectraBase Spectrum ID |
3ogWsG9iuLH |
| Name |
1-(Phenylethynyl)-1-(phenylsulfonyl)cycloheptane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22O2S |
| InChI |
InChI=1S/C21H22O2S/c22-24(23,20-13-7-4-8-14-20)21(16-9-1-2-10-17-21)18-15-19-11-5-3-6-12-19/h3-8,11-14H,1-2,9-10,16-17H2 |
| InChIKey |
CAFXNFRTAHNIEF-UHFFFAOYSA-N |
| Molecular Weight |
338.465 g/mol |
| SMILES |
C1(S(=O)(=O)c2ccccc2)(C#Cc2ccccc2)CCCCCC1 |
| SPLASH |
splash10-000i-0009000000-4e5e4b5d431f722c6075 |
| Source of Spectrum |
F-66-3693-10ePh |
| Wiley ID |
1685446 |
