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Caruilignan C

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

Caruilignan C
SpectraBase Compound ID EIBYDwhyQbi
InChI InChI=1S/C15H18O6/c1-17-11-4-8(5-12(18-2)14(11)19-3)13-9-6-21-15(16)10(9)7-20-13/h4-5,9-10,13H,6-7H2,1-3H3/t9-,10-,13-/m0/s1
InChIKey BYXOLWYJKZALLQ-KWBADKCTSA-N
Mol Weight 294.3 g/mol
Molecular Formula C15H18O6
Exact Mass 294.110338 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3gMIwbkUIg2
Name Caruilignan-C
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.110338294 u
Formula C15H18O6
InChI InChI=1S/C15H18O6/c1-17-11-4-8(5-12(18-2)14(11)19-3)13-9-6-21-15(16)10(9)7-20-13/h4-5,9-10,13H,6-7H2,1-3H3/t9-,10-,13-/m0/s1
InChIKey BYXOLWYJKZALLQ-KWBADKCTSA-N
Molecular Weight 294.303 g/mol
SMILES C=1(OC)C(=C(C=C([C@]2([C@]3(COC(=O)[C@]3(CO2)[H])[H])[H])C1)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.810357