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(+/-)-1,3-Dimethoxy-1,3,4,4aalpha,5,6,7,7aalpha-octahydrocyclopenta[c]pyran
SpectraBase Compound ID 6CPyFpbXLEG
InChI InChI=1S/C10H18O3/c1-11-9-6-7-4-3-5-8(7)10(12-2)13-9/h7-10H,3-6H2,1-2H3/t7-,8-,9?,10?/m1/s1
InChIKey HGVWGIWMXQZCOJ-LGUIWLBCSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dv2MxvKyXb0
Name (+/-)-1,3-dimethoxy-1,3,4,4aalpha,5,6,7,7aalpha-octahydrocyclopenta[C]pyran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.125594437 u
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-11-9-6-7-4-3-5-8(7)10(12-2)13-9/h7-10H,3-6H2,1-2H3/t7-,8-,9?,10?/m1/s1
InChIKey HGVWGIWMXQZCOJ-LGUIWLBCSA-N
Molecular Weight 186.251 g/mol
SMILES [C@]12([C@](CCC2)(CC(OC1OC)OC)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.857527