SpectraBase Compound ID | 9Yj3L83aN46 |
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InChI | InChI=1S/C22H30O2/c1-23-21-15-11-19(12-16-21)9-7-5-3-4-6-8-10-20-13-17-22(24-2)18-14-20/h11-18H,3-10H2,1-2H3 |
InChIKey | MBDRZYUDWRMBEZ-UHFFFAOYSA-N |
Mol Weight | 326.48 g/mol |
Molecular Formula | C22H30O2 |
Exact Mass | 326.22458 g/mol |
SpectraBase Spectrum ID | J3QQWq1VhVV |
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Name | [8.o]-Meta-cyclophane |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 326.224580204 u |
Formula | C22H30O2 |
InChI | InChI=1S/C22H30O2/c1-23-21-15-11-19(12-16-21)9-7-5-3-4-6-8-10-20-13-17-22(24-2)18-14-20/h11-18H,3-10H2,1-2H3 |
InChIKey | MBDRZYUDWRMBEZ-UHFFFAOYSA-N |
Molecular Weight | 326.480 g/mol |
SMILES | C=1(C=CC(CCCCCCCCC2=CC=C(C=C2)OC)=CC1)OC |