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(2S,3S)-4-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-4-methoxybicyclo[8.3.0]trideca-9,13-dien-2,7-diyne

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(2S,3S)-4-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-4-methoxybicyclo[8.3.0]trideca-9,13-dien-2,7-diyne
SpectraBase Compound ID 6kiJwoe4nQW
InChI InChI=1S/C19H22O4/c1-18(2)22-13-17(23-18)19(21-3)12-11-15-9-6-8-14(15)7-4-5-10-16(19)20/h7,9,16-17,20H,6,8,10,13H2,1-3H3/b14-7-/t16-,17+,19-/m0/s1
InChIKey VQGIFFFMUJBVMH-FOBXNJJVSA-N
Mol Weight 314.38 g/mol
Molecular Formula C19H22O4
Exact Mass 314.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6fv0bMU2AKn
Name (2S,3S)-4-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-5-hydroxy-4-methoxybicyclo[8.3.0]trideca-9,13-dien-2,7-diyne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.151809184 u
Formula C19H22O4
InChI InChI=1S/C19H22O4/c1-18(2)22-13-17(23-18)19(21-3)12-11-15-9-6-8-14(15)7-4-5-10-16(19)20/h7,9,16-17,20H,6,8,10,13H2,1-3H3/b14-7-/t16-,17+,19-/m0/s1
InChIKey VQGIFFFMUJBVMH-FOBXNJJVSA-N
Molecular Weight 314.381 g/mol
SMILES C#1[C@@]([C@@]2(OC(C)(C)OC2)[H])([C@](CC#C\C=C/2C(C1)=CCC2)(O)[H])OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868386