Dataset

1,5,7-TRIMETHYLINDAN

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007841 contains the MS mass spectrum of 1,5,7-TRIMETHYLINDAN with the InChIkey NHUDOXBAZXTOGS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H16/c1-8-6-10(3)12-9(2)4-5-11(12)7-8/h6-7,9H,4-5H2,1-3H3
SMILES Cc(c1)cc(C2)c(C(C)C2)c(C)1
InChI Key NHUDOXBAZXTOGS-UHFFFAOYSA-N
Molecular Formula C12H16
Exact Mass 160.125 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-JP007841
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:43.474663
MetadataModified 2025-02-09T12:12:48.589150
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
54340-88-4 ACToR
37476 PubChem
36541-18-1 ACToR
DTXSID40880787 EPA CompTox Dashboard
J47.691I Nikkaji
SCHEMBL5027935 SureChEMBL
The data in this table is sourced from UniChem at EBI.