SpectraBase Spectrum ID |
B0d4dpr6OZ4 |
Name |
1-methyl-4-[(E)-2-[(1R,3S)-3-methylcyclohexyl]vinyl]benzene |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C16H22 |
InChI |
InChI=1S/C16H22/c1-13-6-8-15(9-7-13)10-11-16-5-3-4-14(2)12-16/h6-11,14,16H,3-5,12H2,1-2H3/b11-10+/t14-,16-/m0/s1 |
InChIKey |
XSCCNIGWRMTXIR-BJCHZKIZSA-N |
Molecular Weight |
214.352 g/mol |
SMILES |
[C@]1(\C=C\c2ccc(cc2)C)(C[C@@](C)(CCC1)[H])[H] |
SPLASH |
splash10-014i-0900000000-222b0d8ffb88924a6caa |
Source of Spectrum |
KC-0-1729-26 |
Wiley ID |
828455 |