Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C27H32N2O5/c1-25(2,3)34-24(32)28-20(23(30)31)16-17-11-12-22-18(15-17)13-14-27(33-22)26(4,5)19-9-7-8-10-21(19)29(27)6/h7-15,20H,16H2,1-6H3,(H,28,32)(H,30,31)/t20-,27?/m0/s1
SMILES O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc2c(c1)C=CC1(O2)N(C)c2c(C1(C)C)cccc2
InChI Key VGIKDSZXMNUSHJ-SVQMELKDSA-N
Molecular Formula C27H32N2O5
Exact Mass 464.553 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VGIKDSZXMNUSHJ-SVQMELKDSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/VGIKDSZXMNUSHJ-SVQMELKDSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)propanoic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453648 pubchem
    The data in this table is sourced from UniChem at EBI.