Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C19H28O3/c1-18(10-12-21)13(8-11-20)3-4-14-15-5-6-17(22)19(15,2)9-7-16(14)18/h11-16H,3-10H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
SMILES O=CC[C@@]1(C)[C@H](CC=O)CC[C@@H]2[C@@H]1CC[C@]1([C@H]2CCC1=O)C
InChI Key WEBYUFURDMQIQN-USOAJAOKSA-N
Molecular Formula C19H28O3
Exact Mass 304.424 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WEBYUFURDMQIQN-USOAJAOKSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/WEBYUFURDMQIQN-USOAJAOKSA-N/CHMO0000470
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 2-[(3aS,5aS,6S,7S,9aR,9bS)-3a,6-dimethyl-3-oxo-6-(2-oxoethyl)-1,2,4,5,5a,7,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-yl]acetaldehyde
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.