Pyrophen
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000855
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000855 contains the MS2 mass spectrum of Pyrophen with the InChIkey VFMQMACUYWGDOJ-AWEZNQCLSA-N.
Source: Pyrophen
Chemical Info
| 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 |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 49f6c59c-59c6-4794-84dc-531fc45024e1 |
| Package id | msbnk-aafc-ac000855 |
| Resource type | HTML |
| State | active |