Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C15H14O3S/c16-19(17,12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+
SMILES O=S(=O)(/C=C/c1ccccc1)OCc1ccccc1
InChI Key NAJYROHLELDYQG-VAWYXSNFSA-N
Molecular Formula C15H14O3S
Exact Mass 274.335 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NAJYROHLELDYQG-VAWYXSNFSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/NAJYROHLELDYQG-VAWYXSNFSA-N/CHMO0000470
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:08:25.991170
MetadataModified 2025-01-29T16:02:05.459712
MetadataPublished 2024-10-15
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