Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C19H24BNO2/c1-13-12-17(20-22-18(3,4)19(5,6)23-20)14(2)11-16(13)15-7-9-21-10-8-15/h7-12H,1-6H3
SMILES Cc1cc(c(cc1B1OC(C(O1)(C)C)(C)C)C)c1ccncc1
InChI Key IPGBHWDWCAHDHX-UHFFFAOYSA-N
Molecular Formula C19H24BNO2
Exact Mass 309.210 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IPGBHWDWCAHDHX-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/IPGBHWDWCAHDHX-UHFFFAOYSA-N/CHMO0000470
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:20:41.806937
MetadataModified 2024-09-07T18:12:36.226068
MetadataPublished 2020-06-15
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
146170773 PubChem
The data in this table is sourced from UniChem at EBI.