SpectraBase Compound ID | 5eZMqK5UvDr |
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InChI | InChI=1S/C7H13Br/c1-6(4-5-8)7-2-3-7/h6-7H,2-5H2,1H3 |
InChIKey | CJSAUDDQMYIWNF-UHFFFAOYSA-N |
Mol Weight | 177.08 g/mol |
Molecular Formula | C7H13Br |
Exact Mass | 176.020063 g/mol |
SpectraBase Spectrum ID | IGW77Eu40YQ |
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Name | (4-Bromobutan-2-yl)cyclopropane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 176.020063419 u |
Formula | C7H13Br |
InChI | InChI=1S/C7H13Br/c1-6(4-5-8)7-2-3-7/h6-7H,2-5H2,1H3 |
InChIKey | CJSAUDDQMYIWNF-UHFFFAOYSA-N |
Molecular Weight | 177.085 g/mol |
SMILES | C1CC1C(C)CCBr |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910859 |