SpectraBase Compound ID | 5kdwBybmrNP |
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InChI | InChI=1S/C9H18/c1-3-4-5-8(2)9-6-7-9/h8-9H,3-7H2,1-2H3 |
InChIKey | IYZQDBIQGSJSEX-UHFFFAOYSA-N |
Mol Weight | 126.24 g/mol |
Molecular Formula | C9H18 |
Exact Mass | 126.140851 g/mol |
SpectraBase Spectrum ID | Yj3HXawm6S |
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Name | 1-Methylpentyl cyclopropane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 126.140850580 u |
Formula | C9H18 |
InChI | InChI=1S/C9H18/c1-3-4-5-8(2)9-6-7-9/h8-9H,3-7H2,1-2H3 |
InChIKey | IYZQDBIQGSJSEX-UHFFFAOYSA-N |
Molecular Weight | 126.243 g/mol |
SMILES | C1(CC1)C(CCCC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876494 |