Dataset

infrared absorption spectroscopy (IR) ()

dataset for infrared absorption spectroscopy (IR)

Chemical Info

molecular Image
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
SMILES [N-]=[N+]=Nc1c(F)c(F)c(C(=O)Oc2cc(OC(=O)c3c(F)c(F)c(N=[N+]=[N-])c(F)c3F)cc(OC(=O)c3c(F)c(F)c(N=[N+]=[N-])c(F)c3F)c2)c(F)c1F
InChI Key QPMRFIBNWHZVRL-UHFFFAOYSA-N
Molecular Formula C27H3F12N9O6

Data and Resources

Related Resources

Metadata Information

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DOI
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Author Schmidt, Lisa
Maintainer chemotion-repository
Language en
MetadataCreated 2024-01-24T12:11:32.523705
MetadataModified 2024-01-24T12:11:32.523713
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Measurement Variables