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(1R,2R,5R)-2-Benzyloxymethyl-2-methyl-5-(2-methyl[1,3]dioxolan-2-yl)-cyclopent-3-enylmethanol
SpectraBase Compound ID BH9fx7bjdTM
InChI InChI=1S/C19H26O4/c1-18(14-21-13-15-6-4-3-5-7-15)9-8-16(17(18)12-20)19(2)22-10-11-23-19/h3-9,16-17,20H,10-14H2,1-2H3/t16-,17-,18+/m1/s1
InChIKey LUANPLZEMBNGTI-KURKYZTESA-N
Mol Weight 318.41 g/mol
Molecular Formula C19H26O4
Exact Mass 318.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 97GLfZbgTtH
Name (1R,2R,5R)-2-Benzyloxymethyl-2-methyl-5-(2-methyl[1,3]dioxolan-2-yl)-cyclopent-3-enylmethanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.183109313 u
Formula C19H26O4
InChI InChI=1S/C19H26O4/c1-18(14-21-13-15-6-4-3-5-7-15)9-8-16(17(18)12-20)19(2)22-10-11-23-19/h3-9,16-17,20H,10-14H2,1-2H3/t16-,17-,18+/m1/s1
InChIKey LUANPLZEMBNGTI-KURKYZTESA-N
Molecular Weight 318.413 g/mol
SMILES [C@]1(C2(OCCO2)C)(C=C[C@]([C@@]1(CO)[H])(COCC=1C=CC=CC1)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874961