| SpectraBase Compound ID | 14HXOK51jYm |
|---|---|
| InChI | InChI=1S/C11H14BrNO2/c1-8(2)7-15-11(14)13-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H,13,14) |
| InChIKey | RLWSHMZGSITDJU-UHFFFAOYSA-N |
| Mol Weight | 272.14 g/mol |
| Molecular Formula | C11H14BrNO2 |
| Exact Mass | 271.020792 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3IuRldNDhl8 |
|---|---|
| Name | Carbamic acid, 4-bromophenyl-, isobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.020791693 u |
| Formula | C11H14BrNO2 |
| InChI | InChI=1S/C11H14BrNO2/c1-8(2)7-15-11(14)13-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H,13,14) |
| InChIKey | RLWSHMZGSITDJU-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)Br)NC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879548 |