Chlophedianol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001728
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001728 contains the MS mass spectrum of Chlophedianol with the InChIkey WRCHFMBCVFFYEQ-UHFFFAOYSA-N.
Source: Chlophedianol
Chemical Info
InChI | InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3 |
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SMILES | CN(C)CCC(O)(c(c2)cccc2)c(c1)c(Cl)ccc1 |
InChI Key | WRCHFMBCVFFYEQ-UHFFFAOYSA-N |
Molecular Formula | C17H20ClNO |
Exact Mass | 289.123 g/mol |
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Additional Information
Field | Value |
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Data last updated | January 11, 2024 |
Metadata last updated | January 11, 2024 |
Created | January 11, 2024 |
Format | HTML |
License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
Id | 0a48c294-8de7-4a4e-ba02-596fe674f2c5 |
Package id | msbnk-waters-wa001728 |
Resource type | HTML |
State | active |