infrared absorption spectroscopy (IR)
URL: https://www.chemotion-repository.net/inchikey/NTKMQGUQMVLCRK-UHFFFAOYSA-N/IR
Dataset description:
dataset for infrared absorption spectroscopy (IR)\n\n
Chemical Info
InChI | InChI=1S/C17H17BrO7/c1-8-6-10(22-2)13-9(19)7-17(16(21)23-3,25-15(13)14(8)18)11-4-5-12(20)24-11/h6,11H,4-5,7H2,1-3H3 |
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SMILES | COC(=O)C1(CC(=O)c2c(O1)c(Br)c(cc2OC)C)C1CCC(=O)O1 |
InChI Key | NTKMQGUQMVLCRK-UHFFFAOYSA-N |
Molecular Formula | C17H17BrO7 |
Exact Mass | 413.217 g/mol |
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Additional Information
Field | Value |
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Data last updated | September 7, 2024 |
Metadata last updated | September 7, 2024 |
Created | September 7, 2024 |
Format | HTML |
License | No License Provided |
Id | 1cb90a88-7c63-4be6-9c82-2f2270cb6697 |
Package id | 10-14272-ntkmqguqmvlcrk-uhfffaoysa-n-ir |
Resource type | HTML |
State | active |