| CAS Number: 925442-73-5 4-(4-fluorophenyl)butanal |
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| General Information | ||||||
| Product Number: 925442735
CAS Registry Number: 925442-73-5
Name:
Benzenebutanal, 4-fluoro-
4-(4-Fluorophenyl)butanal; 4-Fluorobenzenebutanal
Chemical Formula: C10H11FO
Exact Mass: 166.08
Molecular Weight: 166.19
m/z: 166.08 (100.0%), 167.08 (10.9%)
Elemental Analysis: C, 72.27; H, 6.67; F, 11.43; O, 9.63
InChI: InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
InChIKey: RJKFOVLPORLFTN-LEKSSAKUSA-N
Canonical SMILES : CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
Isomeric SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
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Specification |
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98% |
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| References | ||||||
PCT Int. Appl. (2014), WO 2014073624 A1 20140515. PCT Int. Appl. (2012), WO 2012165648 A1 20121206. |
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