SpectraBase Spectrum ID |
CUhVyYixsvp |
Name |
Spiro[benzo[C]thiophene-4(1H),2'-[1,3]dioxolane], 1,3-diethylhexahydro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
256.149701185 u |
Formula |
C14H24O2S |
InChI |
InChI=1S/C14H24O2S/c1-3-11-10-6-5-7-14(15-8-9-16-14)13(10)12(4-2)17-11/h10-13H,3-9H2,1-2H3 |
InChIKey |
NSCFGUFRBZNELQ-UHFFFAOYSA-N |
Molecular Weight |
256.404 g/mol |
SMILES |
C12C3(OCCO3)CCCC1C(CC)SC2CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903547 |