SpectraBase Spectrum ID |
E9o2gwZGAQE |
Name |
pseudogem-carboxy(hydroxymethyl)(2.2)paracyclophane |
CAS Registry Number |
74498-48-9 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C18H18O3 |
InChI |
InChI=1S/C18H18O3/c19-11-16-9-12-1-2-13-4-6-15(17(10-13)18(20)21)8-7-14(16)5-3-12/h3-6,9-10,19H,1-2,7-8,11H2,(H,20,21) |
InChIKey |
OQGCOFCDPLZJDO-UHFFFAOYSA-N |
Molecular Weight |
282.339 g/mol |
SMILES |
OC(c1c2CCc3c(CO)cc(CCc(c1)cc2)cc3)=O |
SPLASH |
splash10-0n2a-2910000000-0ad77f40bf1336e11cd4 |
Source of Spectrum |
J-45-3978-0 |
Synonyms |
12-(hydroxymethyl)tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene-5-carboxylic acid |
Wiley ID |
1286229 |