Dataset

Pyrophen

This MassBank record with Accession MSBNK-AAFC-AC000854 contains the MS2 mass spectrum of Pyrophen with the InChIkey VFMQMACUYWGDOJ-AWEZNQCLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H17NO4/c1-11(18)17-14(8-12-6-4-3-5-7-12)15-9-13(20-2)10-16(19)21-15/h3-7,9-10,14H,8H2,1-2H3,(H,17,18)/t14-/m0/s1
SMILES CC(=O)N[C@@H](CC1=CC=CC=C1)C2=CC(=CC(=O)O2)OC
InChI Key VFMQMACUYWGDOJ-AWEZNQCLSA-N
Molecular Formula C16H17NO4
Exact Mass 287.116 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000854
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:25:55.358311
MetadataModified 2025-02-08T18:37:07.736479
MetadataPublished 2017-07-07
Related Molecule