| SpectraBase Compound ID | CQSBecCGaza |
|---|---|
| InChI | InChI=1S/C10H12BrNO2/c1-2-7-14-10(13)12-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H,12,13) |
| InChIKey | XBPGGGVAWQWYNT-UHFFFAOYSA-N |
| Mol Weight | 258.11 g/mol |
| Molecular Formula | C10H12BrNO2 |
| Exact Mass | 257.005142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 67DkjgnP2BT |
|---|---|
| Name | Carbamic acid, 4-bromophenyl-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.005141628 u |
| Formula | C10H12BrNO2 |
| InChI | InChI=1S/C10H12BrNO2/c1-2-7-14-10(13)12-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H,12,13) |
| InChIKey | XBPGGGVAWQWYNT-UHFFFAOYSA-N |
| Molecular Weight | 258.115 g/mol |
| SMILES | C1=C(C=CC(=C1)Br)NC(=O)OCCC |