SpectraBase Compound ID | 4uXVm5TVPuP |
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InChI | InChI=1S/C10H18O/c1-4-6-9-8-10(3,11-9)7-5-2/h5,9H,2,4,6-8H2,1,3H3 |
InChIKey | SCTCYJKZPIQKQK-UHFFFAOYSA-N |
Mol Weight | 154.25 g/mol |
Molecular Formula | C10H18O |
Exact Mass | 154.135765 g/mol |
SpectraBase Spectrum ID | C0018MQxDEW |
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Name | 2-Allyl-2-methyl-4-propyloxetane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 154.135765199 u |
Formula | C10H18O |
InChI | InChI=1S/C10H18O/c1-4-6-9-8-10(3,11-9)7-5-2/h5,9H,2,4,6-8H2,1,3H3 |
InChIKey | SCTCYJKZPIQKQK-UHFFFAOYSA-N |
Molecular Weight | 154.253 g/mol |
SMILES | C1(OC(C1)CCC)(CC=C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86981 |