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Nonoxynol-9 on kbr

View entire compound with spectra: 1 NMR

Nonoxynol-9 on kbr
SpectraBase Compound ID KgJU9cKK48S
InChI InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3
InChIKey FBWNMEQMRUMQSO-UHFFFAOYSA-N
Mol Weight 616.8 g/mol
Molecular Formula C33H60O10
Exact Mass 616.418648 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8RT8vhKvZxk
Name Nonoxynol-9 on kbr
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 616.418648122 u
Formula C33H60O10
InChI InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3
InChIKey FBWNMEQMRUMQSO-UHFFFAOYSA-N
Molecular Weight 616.833 g/mol
SMILES C(OC=1C=CC(CCCCCCCCC)=CC1)COCCOCCOCCOCCOCCOCCOCCOCCO