| SpectraBase Spectrum ID |
3wr8EqLzZw |
| Name |
5-(3-(Cyclohex-1-en-1-yl)-1-((S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)prop-2-yn-1-yl)-2,4,6-trihydroxyisophthalaldehyde |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.193673997 u |
| Formula |
C26H28O5 |
| InChI |
InChI=1S/C26H28O5/c1-16(2)18-9-11-19(12-10-18)20(13-8-17-6-4-3-5-7-17)23-25(30)21(14-27)24(29)22(15-28)26(23)31/h6,11,14-15,18,20,29-31H,1,3-5,7,9-10,12H2,2H3/t18-,20?/m1/s1 |
| InChIKey |
GOJFRKOHOMFWMO-QSVWIEALSA-N |
| Instrument Name |
FINNIGAN SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202102959 |
| Molecular Weight |
420.505 g/mol |
| Reported Formula |
C26H28O5 |
| SMILES |
OC1=C(C(=C(C(=C1C=O)O)C=O)O)C(C#CC1=CCCCC1)C1=CC[C@](CC1)(C(=C)C)[H] |
| SPLASH |
splash10-0fmi-0119400000-29add1eed40cd7b334f2 |
| Sample Comments |
dr = 1:1 |
| Source of Spectrum |
QE-27-SM22-11El (DOI: 10.1002/chem.202102959) |
| Wiley ID |
1904188 |
