![7-Butylbenz[A]anthracene](/api/spectrum/C2ANvdKIER9/structure.png?h=300&w=458 "7-Butylbenz[A]anthracene")
| SpectraBase Compound ID | LbWTwapOiyb |
|---|---|
| InChI | InChI=1S/C22H20/c1-2-3-10-20-19-12-7-5-9-17(19)15-22-18-11-6-4-8-16(18)13-14-21(20)22/h4-9,11-15H,2-3,10H2,1H3 |
| InChIKey | BIOVWIBRVOHDTA-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 | C2ANvdKIER9 |
|---|---|
| Name | 7-Butylbenz[A]anthracene |
| 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/c1-2-3-10-20-19-12-7-5-9-17(19)15-22-18-11-6-4-8-16(18)13-14-21(20)22/h4-9,11-15H,2-3,10H2,1H3 |
| InChIKey | BIOVWIBRVOHDTA-UHFFFAOYSA-N |
| SMILES | C1=CC=CC2=C1C(=C1C=CC3=C(C1=C2)C=CC=C3)CCCC |