| SpectraBase Spectrum ID |
coJC5d2FFH |
| Name |
1H-Cyclobut[bc]acenaphthylene-1-acetic acid, dodecahydro-5-phenyl-, (1.alpha.,1A.alpha.,2A.beta.,5.alpha.,5A.alpha.,7A.alpha.,7B.alpha.,7 C.alpha.)-(.+-.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.193280075 u |
| Formula |
C21H26O2 |
| InChI |
InChI=1S/C21H26O2/c22-19(23)11-17-16-9-8-15-14(12-4-2-1-3-5-12)7-6-13-10-18(17)21(16)20(13)15/h1-5,13-18,20-21H,6-11H2,(H,22,23) |
| InChIKey |
XQDQNSMTNITVML-UHFFFAOYSA-N |
| SMILES |
C12C3C4C(C=5C=CC=CC5)CCC3CC1C(C2CC4)CC(=O)O |
![1H-Cyclobut[bc]acenaphthylene-1-acetic acid, dodecahydro-5-phenyl-, (1.alpha.,1a.alpha.,2a.beta.,5.alpha.,5a.alpha.,7a.alpha.,7b.alpha.,7 c.alpha.)-(.+-.)-](/api/spectrum/coJC5d2FFH/structure.png?h=300&w=458 "1H-Cyclobut[bc]acenaphthylene-1-acetic acid, dodecahydro-5-phenyl-, (1.alpha.,1a.alpha.,2a.beta.,5.alpha.,5a.alpha.,7a.alpha.,7b.alpha.,7 c.alpha.)-(.+-.)-")
