Dataset

3-ACETYL-9-ISOPROPYLCARBAZOLE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005060 contains the MS mass spectrum of 3-ACETYL-9-ISOPROPYLCARBAZOLE with the InChIkey VNPUIJZPRGOMGS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H17NO/c1-11(2)18-16-7-5-4-6-14(16)15-10-13(12(3)19)8-9-17(15)18/h4-11H,1-3H3
SMILES CC(=O)c(c3)cc(c21)c(c3)n(C(C)C)c(cccc2)1
InChI Key VNPUIJZPRGOMGS-UHFFFAOYSA-N
Molecular Formula C17H17NO
Exact Mass 251.131 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP005060
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:12:17.850189
MetadataModified 2025-02-09T12:58:43.199127
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
619699 PubChem
MCULE-1938190981 Mcule
985798 eMolecules
50087328 PubChem: Thomson Pharma
SCHEMBL4726729 SureChEMBL
ZINC000002297453 ZINC
DTXSID00347280 EPA CompTox Dashboard
J182.442B Nikkaji
The data in this table is sourced from UniChem at EBI.