![d (6-Bromobenzo[1,3]dioxo-5-ylmethyl)but-3-enylamine](/api/spectrum/GtTInltTsDj/structure.png?h=300&w=458 "d (6-Bromobenzo[1,3]dioxo-5-ylmethyl)but-3-enylamine")
| SpectraBase Compound ID | Epqn33te1Lg |
|---|---|
| InChI | InChI=1S/C12H14BrNO2/c1-2-3-4-14-7-9-5-11-12(6-10(9)13)16-8-15-11/h2,5-6,14H,1,3-4,7-8H2 |
| InChIKey | SKFSKKSNILWGIQ-UHFFFAOYSA-N |
| Mol Weight | 284.15 g/mol |
| Molecular Formula | C12H14BrNO2 |
| Exact Mass | 283.020792 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GtTInltTsDj |
|---|---|
| Name | D (6-Bromobenzo[1,3]dioxo-5-ylmethyl)but-3-enylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.020791693 u |
| Formula | C12H14BrNO2 |
| InChI | InChI=1S/C12H14BrNO2/c1-2-3-4-14-7-9-5-11-12(6-10(9)13)16-8-15-11/h2,5-6,14H,1,3-4,7-8H2 |
| InChIKey | SKFSKKSNILWGIQ-UHFFFAOYSA-N |
| SMILES | C=1C2=C(OCO2)C=C(C1Br)CNCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942595 |