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

*Links on SpectraBase are not permalinks.

Etafenone-M (di-HO-) 2AC

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

Etafenone-M (di-HO-) 2AC
SpectraBase Compound ID KCvmZEw0y9T
InChI InChI=1S/C25H31NO6/c1-5-26(6-2)15-16-30-23-10-8-7-9-21(23)22(29)13-11-20-12-14-24(31-18(3)27)25(17-20)32-19(4)28/h7-10,12,14,17H,5-6,11,13,15-16H2,1-4H3
InChIKey BJMMUDSBFHUPRH-UHFFFAOYSA-N
Mol Weight 441.52 g/mol
Molecular Formula C25H31NO6
Exact Mass 441.215138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 57RL1KVtzVu
Name Etafenone-m (di-ho-) 2ac P1563
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.215137716 u
Formula C25H31NO6
InChI InChI=1S/C25H31NO6/c1-5-26(6-2)15-16-30-23-10-8-7-9-21(23)22(29)13-11-20-12-14-24(31-18(3)27)25(17-20)32-19(4)28/h7-10,12,14,17H,5-6,11,13,15-16H2,1-4H3
InChIKey BJMMUDSBFHUPRH-UHFFFAOYSA-N
Molecular Weight 441.524 g/mol
SMILES C=1C=C(C(OCCN(CC)CC)=CC1)C(=O)CCC=1C=C(OC(C)=O)C(=CC1)OC(C)=O