Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C18H17BrO/c19-12-18(20)17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-11H,5-7,9,12H2
SMILES BrCC(=O)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key YHTZBTBMDMIXTF-UHFFFAOYSA-N
Molecular Formula C18H17BrO
Exact Mass 329.231 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YHTZBTBMDMIXTF-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/YHTZBTBMDMIXTF-UHFFFAOYSA-N/CHMO0000480
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:46:22.379864
MetadataModified 2024-09-08T03:46:22.379869
MetadataPublished 2024-05-21
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J3.513.243K Nikkaji
15657168 PubChem
SCHEMBL17294906 SureChEMBL
The data in this table is sourced from UniChem at EBI.