SpectraBase Compound ID | Hb8MSWCOLSm |
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InChI | InChI=1S/C8H14BrNO/c1-7(2)8(9)10-3-5-11-6-4-10/h3-6H2,1-2H3 |
InChIKey | VFVBKAGUSGMYRT-UHFFFAOYSA-N |
Mol Weight | 220.11 g/mol |
Molecular Formula | C8H14BrNO |
Exact Mass | 219.025877 g/mol |
SpectraBase Spectrum ID | CZTgXcc1NH5 |
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Name | 4-(1-Bromo-2-methylprop-1-enyl)morpholine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 219.025877074 u |
Formula | C8H14BrNO |
InChI | InChI=1S/C8H14BrNO/c1-7(2)8(9)10-3-5-11-6-4-10/h3-6H2,1-2H3 |
InChIKey | VFVBKAGUSGMYRT-UHFFFAOYSA-N |
Molecular Weight | 220.110 g/mol |
SMILES | C1OCCN(C1)C(Br)=C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960975 |