Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C103H86N4O10S4/c1-108-83-43-27-75(28-44-83)104(76-29-45-84(109-2)46-30-76)71-19-11-67(12-20-71)91-59-63-95(118-91)99-100(96-64-60-92(119-96)68-13-21-72(22-14-68)105(77-31-47-85(110-3)48-32-77)78-33-49-86(111-4)50-34-78)102(98-66-62-94(121-98)70-17-25-74(26-18-70)107(81-39-55-89(114-7)56-40-81)82-41-57-90(115-8)58-42-82)103(116-9,117-10)101(99)97-65-61-93(120-97)69-15-23-73(24-16-69)106(79-35-51-87(112-5)52-36-79)80-37-53-88(113-6)54-38-80/h11-66H,1-10H3
SMILES COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)c1ccc(s1)C1=C(c2ccc(s2)c2ccc(cc2)N(c2ccc(cc2)OC)c2ccc(cc2)OC)C(C(=C1c1ccc(s1)c1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(s1)c1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)OC)(OC)OC
InChI Key FVSCOLSVRKDPMP-UHFFFAOYSA-N
Exact Mass 1668.066 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FVSCOLSVRKDPMP-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/FVSCOLSVRKDPMP-UHFFFAOYSA-N/CHMO0000595
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-11-19
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Date : 2025-11-08

Start time : 07:21:32 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : SVS-3567

ID : 355919

Solvent : CDCl3

Temperature : 298.001713854204 K K

Puls programme : zgpg30

Number of scans : 4096

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
177693365 pubchem
The data in this table is sourced from UniChem at EBI.