SpectraBase Compound ID | 8ZVsvkq31zf |
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InChI | InChI=1S/C7H10O2S/c1-5-10-6-2-7(1)8-3-4-9-7/h1,5H,2-4,6H2 |
InChIKey | NVPXKBRJOFCBDU-UHFFFAOYSA-N |
Mol Weight | 158.21 g/mol |
Molecular Formula | C7H10O2S |
Exact Mass | 158.040151 g/mol |
SpectraBase Spectrum ID | 4ym1Spi0DpK |
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Name | 1,4-Dioxa-8-thiaspiro[4.5]dec-6-ene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 158.040150734 u |
Formula | C7H10O2S |
InChI | InChI=1S/C7H10O2S/c1-5-10-6-2-7(1)8-3-4-9-7/h1,5H,2-4,6H2 |
InChIKey | NVPXKBRJOFCBDU-UHFFFAOYSA-N |
Molecular Weight | 158.215 g/mol |
SMILES | C1OC2(OC1)C=CSCC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929187 |