Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C17H18O/c18-12-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-11,18H,5-7,9,12H2
SMILES OCc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key DBZFLKMLGVAMTF-UHFFFAOYSA-N
Molecular Formula C17H18O
Exact Mass 238.324 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DBZFLKMLGVAMTF-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/DBZFLKMLGVAMTF-UHFFFAOYSA-N/CHMO0000480
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:42:21.612470
MetadataModified 2024-09-07T19:58:44.652062
MetadataPublished 2021-06-26
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