| SpectraBase Spectrum ID |
BR1s9Tbn4Py |
| Name |
4-(1'-Benzoyloxybut-3'-enyl)paracyclophane |
| Alternate Name(s) |
1-tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl-3-butenyl benzoate
4-(1-Benzoyloxybut-3-enyl)[2.2]paracyclophane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H26O2 |
| InChI |
InChI=1S/C27H26O2/c1-2-6-26(29-27(28)24-7-4-3-5-8-24)25-19-22-14-13-20-9-11-21(12-10-20)15-17-23(25)18-16-22/h2-5,7-12,16,18-19,26H,1,6,13-15,17H2 |
| InChIKey |
PHHKPTVXNFCKOA-UHFFFAOYSA-N |
| Molecular Weight |
382.503 g/mol |
| SMILES |
C(OC(c1c2CCc3ccc(CCc(c1)cc2)cc3)CC=C)(=O)c1ccccc1 |
| SPLASH |
splash10-03di-0090000000-3d7256a9a587ce30abf7 |
| Source of Spectrum |
QF-49-917-4 |
| Wiley ID |
1547903 |
