Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C32H27NO/c1-34-28-17-18-31-27(20-28)21-30(25-5-3-2-4-6-25)32(33-31)29-19-24-12-11-22-7-9-23(10-8-22)13-15-26(29)16-14-24/h2-10,14,16-21H,11-13,15H2,1H3
SMILES COc1ccc2c(c1)cc(c(n2)c1cc2CCc3ccc(CCc1cc2)cc3)c1ccccc1
InChI Key VTBRCGKGKFRWJI-UHFFFAOYSA-N
Molecular Formula C32H27NO
Exact Mass 441.563 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VTBRCGKGKFRWJI-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/VTBRCGKGKFRWJI-UHFFFAOYSA-N/CHMO0000480
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:35:11.833003
MetadataModified 2024-09-08T03:35:11.833009
MetadataPublished 2024-05-21
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables