Bisphenol B
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN120334
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-AN120334 contains the MS2 mass spectrum of Bisphenol B with the InChIkey HTVITOHKHWFJKO-UHFFFAOYSA-N.
Source: Bisphenol B
Chemical Info
| InChI | InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3 |
|---|---|
| SMILES | CCC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O |
| InChI Key | HTVITOHKHWFJKO-UHFFFAOYSA-N |
| Molecular Formula | C16H18O2 |
| Exact Mass | 242.131 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 4.0 International (CC BY 4.0) |
| Id | 9709288d-fb86-4439-ae40-a283c90c1f02 |
| Package id | msbnk-antwerp_univ-an120334 |
| Resource type | HTML |
| State | active |