| SpectraBase Compound ID | D0ATPppUpRb |
|---|---|
| InChI | InChI=1S/C10H9ClO/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-7H,1H3/b6-5+ |
| InChIKey | VWEPXSRBBXPYSM-AATRIKPKSA-N |
| Mol Weight | 180.63 g/mol |
| Molecular Formula | C10H9ClO |
| Exact Mass | 180.034193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jj9KMy3UeJm |
|---|---|
| Name | 3-Buten-2-one, 4-(3-chlorophenyl)-, (E)-; 3-buten-2-one, 4-(m-chlorophenyl)-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.034192609 u |
| Formula | C10H9ClO |
| InChI | InChI=1S/C10H9ClO/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-7H,1H3/b6-5+ |
| InChIKey | VWEPXSRBBXPYSM-AATRIKPKSA-N |
| Molecular Weight | 180.634 g/mol |
| SMILES | C1=C(C=CC=C1Cl)\C=C\C(C)=O |