SpectraBase Compound ID | 7EsYFMlZNvY |
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InChI | InChI=1S/C9H18OS/c1-7(2)8-5-10-9(3,4)6-11-8/h7-8H,5-6H2,1-4H3/t8-/m0/s1 |
InChIKey | VVICMTJZNDYITD-QMMMGPOBSA-N |
Mol Weight | 174.3 g/mol |
Molecular Formula | C9H18OS |
Exact Mass | 174.107836 g/mol |
SpectraBase Spectrum ID | 80jRW1pYfT |
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Name | (5R)-2,2-Dimethyl-5-propan-2-yl-1,4-oxathiane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 174.107836373 u |
Formula | C9H18OS |
InChI | InChI=1S/C9H18OS/c1-7(2)8-5-10-9(3,4)6-11-8/h7-8H,5-6H2,1-4H3/t8-/m0/s1 |
InChIKey | VVICMTJZNDYITD-QMMMGPOBSA-N |
Molecular Weight | 174.302 g/mol |
SMILES | [C@]1(SCC(OC1)(C)C)(C(C)C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980753 |