| SpectraBase Compound ID | 7BI9Wcbn5nz |
|---|---|
| InChI | InChI=1S/C22H20/c1-3-8-19-20-12-7-6-10-17(20)15(2)22-18-11-5-4-9-16(18)13-14-21(19)22/h4-7,9-14H,3,8H2,1-2H3 |
| InChIKey | YQKGLNLJXKJWSN-UHFFFAOYSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C22H20 |
| Exact Mass | 284.156501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DVaGskUdy9M |
|---|---|
| Name | Benz(A)anthracene, 12-methyl-7-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.156500644 u |
| Formula | C22H20 |
| InChI | InChI=1S/C22H20/c1-3-8-19-20-12-7-6-10-17(20)15(2)22-18-11-5-4-9-16(18)13-14-21(19)22/h4-7,9-14H,3,8H2,1-2H3 |
| InChIKey | YQKGLNLJXKJWSN-UHFFFAOYSA-N |
| SMILES | C1=CC=CC2=C1C(=C1C=CC3=C(C1=C2C)C=CC=C3)CCC |