13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/QPMRFIBNWHZVRL-UHFFFAOYSA-N/CHMO0000595
Dataset description:
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n
Source: 13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C27H3F12N9O6/c28-10-7(11(29)17(35)22(16(10)34)43-46-40)25(49)52-4-1-5(53-26(50)8-12(30)18(36)23(44-47-41)19(37)13(8)31)3-6(2-4)54-27(51)9-14(32)20(38)24(45-48-42)21(39)15(9)33/h1-3H |
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SMILES | O=C(c1c(F)c(F)c(c(c1F)F)N=[N+]=[N-])Oc1cc(OC(=O)c2c(F)c(F)c(c(c2F)F)N=[N+]=[N-])cc(c1)OC(=O)c1c(F)c(F)c(c(c1F)F)N=[N+]=[N-] |
InChI Key | QPMRFIBNWHZVRL-UHFFFAOYSA-N |
Exact Mass | 777.350 g/mol |
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Additional Information
Field | Value |
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Data last updated | September 8, 2024 |
Metadata last updated | September 8, 2024 |
Created | September 8, 2024 |
Format | HTML |
License | License Not Specified |
Id | 5334e498-64b1-4f50-8eeb-4e971f5d1a2e |
Package id | 10-14272-qpmrfibnwhzvrl-uhfffaoysa-n-chmo0000595 |
Resource type | HTML |
State | active |