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3,15-Dihydroxy-4-methyltetracyclo[11.4.0.0(2,10).0(5,9)]heptadeca-1(17),2,4,9,13,15-hexaene
SpectraBase Compound ID IVEKmVbZwT7
InChI InChI=1S/C18H18O2/c1-10-13-3-2-4-15(13)16-7-5-11-9-12(19)6-8-14(11)17(16)18(10)20/h6,8-9,19-20H,2-5,7H2,1H3
InChIKey NGOMYJRDKOPLKC-UHFFFAOYSA-N
Mol Weight 266.34 g/mol
Molecular Formula C18H18O2
Exact Mass 266.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 55uSSFTTMFm
Name 3,15-Dihydroxy-4-methyltetracyclo[11.4.0.0(2,10).0(5,9)]heptadeca-1(17),2,4,9,13,15-hexaene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.130679818 u
Formula C18H18O2
InChI InChI=1S/C18H18O2/c1-10-13-3-2-4-15(13)16-7-5-11-9-12(19)6-8-14(11)17(16)18(10)20/h6,8-9,19-20H,2-5,7H2,1H3
InChIKey NGOMYJRDKOPLKC-UHFFFAOYSA-N
Molecular Weight 266.340 g/mol
SMILES C1=2C(=C3CCCC3=C(C2O)C)CCC=2C1=CC=C(O)C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910377