Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C25H22N2S2/c1-16-22(14-24(28-16)18-6-10-26-11-7-18)20-4-3-5-21(20)23-15-25(29-17(23)2)19-8-12-27-13-9-19/h6-15H,3-5H2,1-2H3
SMILES Cc1sc(cc1C1=C(CCC1)c1cc(sc1C)c1ccncc1)c1ccncc1
InChI Key LLQAIDHAAXVYTF-UHFFFAOYSA-N
Molecular Formula C25H22N2S2
Exact Mass 414.586 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LLQAIDHAAXVYTF-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/LLQAIDHAAXVYTF-UHFFFAOYSA-N/CHMO0000480
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:48:00.757175
MetadataModified 2024-09-08T00:48:00.757181
MetadataPublished 2023-03-23
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16222107 PubChem: Thomson Pharma
11144149 PubChem
CB63060939 ChemicalBook
BORZAL CCDC
J1.925.221C Nikkaji
The data in this table is sourced from UniChem at EBI.