| SpectraBase Spectrum ID |
AzMcHWTSgvb |
| Name |
1-(4,4-Dimethyl-6-phenylsulfonylhex-5-enyl)-4-isopropyl-5-methoxy-1,2-dihydrobenzocyclobutene-1-carbonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H33NO3S |
| InChI |
InChI=1S/C27H33NO3S/c1-20(2)23-16-21-18-27(19-28,24(21)17-25(23)31-5)13-9-12-26(3,4)14-15-32(29,30)22-10-7-6-8-11-22/h6-8,10-11,14-17,20H,9,12-13,18H2,1-5H3/b15-14+ |
| InChIKey |
DQYQQIMWHWALEP-CCEZHUSRSA-N |
| Molecular Weight |
451.625 g/mol |
| SMILES |
C(\C=C\S(=O)(=O)c1ccccc1)(CCCC1(c2cc(OC)c(cc2C1)C(C)C)C#N)(C)C |
| SPLASH |
splash10-0udl-1290700000-95df685429c2ca7125c1 |
| Source of Spectrum |
KC-0-3533-4 |
| Synonyms |
7-[(5E)-4,4-dimethyl-6-(phenylsulfonyl)-5-hexenyl]-3-isopropyl-4-methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile |
| Wiley ID |
823901 |
