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1,3-Cyclopentanedimethanol, 1-hydroxy-2,2,3-trimethyl-, (1S-cis)-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1,3-Cyclopentanedimethanol, 1-hydroxy-2,2,3-trimethyl-, (1S-cis)-
SpectraBase Compound ID DtemNwIiuPB
InChI InChI=1S/C10H20O3/c1-8(2)9(3,6-11)4-5-10(8,13)7-12/h11-13H,4-7H2,1-3H3
InChIKey NKJMAZLYQCMXDO-UHFFFAOYSA-N
Mol Weight 188.27 g/mol
Molecular Formula C10H20O3
Exact Mass 188.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID UG885K5i3W
Name 1,3-Cyclopentanedimethanol, 1-hydroxy-2,2,3-trimethyl-, (1S-cis)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.141244501 u
Formula C10H20O3
InChI InChI=1S/C10H20O3/c1-8(2)9(3,6-11)4-5-10(8,13)7-12/h11-13H,4-7H2,1-3H3
InChIKey NKJMAZLYQCMXDO-UHFFFAOYSA-N
Molecular Weight 188.267 g/mol
SMILES C1(C(CCC1(CO)C)(O)CO)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912789