Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C63H50O2S12/c1-31-11-19-43(66-31)39-27-51(74-59(39)47-23-15-35(5)70-47)55-56(52-28-40(44-20-12-32(2)67-44)60(75-52)48-24-16-36(6)71-48)58(54-30-42(46-22-14-34(4)69-46)62(77-54)50-26-18-38(8)73-50)63(64-9,65-10)57(55)53-29-41(45-21-13-33(3)68-45)61(76-53)49-25-17-37(7)72-49/h11-30H,1-10H3
SMILES COC1(OC)C(=C(C(=C1c1sc(c(c1)c1ccc(s1)C)c1ccc(s1)C)c1sc(c(c1)c1ccc(s1)C)c1ccc(s1)C)c1sc(c(c1)c1ccc(s1)C)c1ccc(s1)C)c1sc(c(c1)c1ccc(s1)C)c1ccc(s1)C
InChI Key OVMMJPHKRLRVBM-UHFFFAOYSA-N
Exact Mass 1223.850 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OVMMJPHKRLRVBM-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/OVMMJPHKRLRVBM-UHFFFAOYSA-N/CHMO0000596
Version
Author Peter Bäuerle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-11
Related Molecule
Field Value
Measurement Technique distortionless enhancement with polarization transfer
Measurement Variables
Date : 2025-12-02

Start time : 03:24:34 UTC

Creator : Sylvia Vanderheiden-Schroen

Label : ComP-26998

ID : 355549

Solvent : CDCl3

Temperature : 298.001743796589 K K

Puls programme : deptsp90

Number of scans : 256

Instrument : Avance NEO 400

Name : TopSpin

Data-Source Molecule ID Data-Source
177747864 pubchem
The data in this table is sourced from UniChem at EBI.