| SpectraBase Spectrum ID |
BihkAoQ3CD5 |
| Name |
(Z)-3-methyl-5-(2-phenylethynyl)-4-nonenal |
| Alternate Name(s) |
(Z)-3-methyl-5-(2-phenylethynyl)non-4-enal
(Z)-5-butyl-3-methyl-7-phenyl-hept-4-en-6-ynal |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22O |
| InChI |
InChI=1S/C18H22O/c1-3-4-8-18(15-16(2)13-14-19)12-11-17-9-6-5-7-10-17/h5-7,9-10,14-16H,3-4,8,13H2,1-2H3/b18-15- |
| InChIKey |
PHFJGSGGOKQRRS-SDXDJHTJSA-N |
| Molecular Weight |
254.373 g/mol |
| SMILES |
C(#Cc1ccccc1)\C(=C/C(CC=O)C)CCCC |
| SPLASH |
splash10-004i-0090000000-7f748ed0b20d1d60f242 |
| Source of Spectrum |
J-61-8255-7 |
| Wiley ID |
1258402 |
