| SpectraBase Spectrum ID |
1mEk9K35gvI |
| Name |
1-[5,6-Dihydro-2,5-dimethyl-6-(4'-methoxyphenyl)-1,4-oxathiin-3-yl]ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.097665611 u |
| Formula |
C15H18O3S |
| InChI |
InChI=1S/C15H18O3S/c1-9(16)15-10(2)18-14(11(3)19-15)12-5-7-13(17-4)8-6-12/h5-8,11,14H,1-4H3/t11-,14+/m0/s1 |
| InChIKey |
PPJYJMNJUFSKSK-SMDDNHRTSA-N |
| SMILES |
C=1(S[C@@](C)([C@@](OC1C)(C1=CC=C(C=C1)OC)[H])[H])C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9282 |
![1-[5,6-Dihydro-2,5-dimethyl-6-(4'-methoxyphenyl)-1,4-oxathiin-3-yl]ethanone](/api/spectrum/1mEk9K35gvI/structure.png?h=300&w=458 "1-[5,6-Dihydro-2,5-dimethyl-6-(4'-methoxyphenyl)-1,4-oxathiin-3-yl]ethanone")
