Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H17N3O8/c1-5(16)20-9-8(4-14-15-13)23-12(19)11(22-7(3)18)10(9)21-6(2)17/h8-12,19H,4H2,1-3H3/t8?,9-,10+,11?,12?/m1/s1
SMILES [N-]=[N+]=NCC1OC(O)C([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
InChI Key MUTUZTFDNMUQCN-VHDMFRCESA-N
Molecular Formula C12H17N3O8
Exact Mass 331.279 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MUTUZTFDNMUQCN-VHDMFRCESA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/MUTUZTFDNMUQCN-VHDMFRCESA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:20:50.545288
MetadataModified 2024-09-07T15:28:19.258683
MetadataPublished 2019-06-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables