For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Cylindol A

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

Cylindol A
SpectraBase Compound ID 9UpVYAT5Lxt
InChI InChI=1S/C16H14O7/c1-21-15(19)9-3-5-11(17)13(7-9)23-14-8-10(16(20)22-2)4-6-12(14)18/h3-8,17-18H,1-2H3
InChIKey OEYSNLOOZVNLRA-UHFFFAOYSA-N
Mol Weight 318.28 g/mol
Molecular Formula C16H14O7
Exact Mass 318.073953 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8mAWyMfp3mf
Name Cylindol-A
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.073952784 u
Formula C16H14O7
InChI InChI=1S/C16H14O7/c1-21-15(19)9-3-5-11(17)13(7-9)23-14-8-10(16(20)22-2)4-6-12(14)18/h3-8,17-18H,1-2H3
InChIKey OEYSNLOOZVNLRA-UHFFFAOYSA-N
Molecular Weight 318.281 g/mol
SMILES C1(OC2=CC(C(=O)OC)=CC=C2O)=CC(C(=O)OC)=CC=C1O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961378