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4-[p-(1,3-dithiolan-2-yl)phenoxy]-3-nitrobenzoic acid, ethyl ester

View entire compound with spectra: 3 NMR, and 1 FTIR

4-[p-(1,3-dithiolan-2-yl)phenoxy]-3-nitrobenzoic acid, ethyl ester
SpectraBase Compound ID EdsHKPbw93M
InChI InChI=1S/C18H17NO5S2/c1-2-23-17(20)13-5-8-16(15(11-13)19(21)22)24-14-6-3-12(4-7-14)18-25-9-10-26-18/h3-8,11,18H,2,9-10H2,1H3
InChIKey SOBBKZLOYQLZPI-UHFFFAOYSA-N
Mol Weight 391.46 g/mol
Molecular Formula C18H17NO5S2
Exact Mass 391.054815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Z1PangUfvs
Name 4-[p-(1,3-DITHIOLAN-2-YL)PHENOXY]-3-NITROBENZOIC ACID, ETHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO5S2
InChI InChI=1S/C18H17NO5S2/c1-2-23-17(20)13-5-8-16(15(11-13)19(21)22)24-14-6-3-12(4-7-14)18-25-9-10-26-18/h3-8,11,18H,2,9-10H2,1H3
InChIKey SOBBKZLOYQLZPI-UHFFFAOYSA-N
Melting Point 105-107C
Molecular Weight 391.47
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms BENZOIC ACID, 4-[p-(1,3-DITHIOLAN-2-YL)PHENOXY]-3-NITRO-, ETHYL ESTER