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trans-2,3,5,6,8,9,18a,19,20,21,22,22a-dodecahydro-17H-12,16-nitrilo-11H-1,4,7,10,18-benzopentaoxacycloeicosin-11,17-dione

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trans-2,3,5,6,8,9,18a,19,20,21,22,22a-dodecahydro-17H-12,16-nitrilo-11H-1,4,7,10,18-benzopentaoxacycloeicosin-11,17-dione
SpectraBase Compound ID BkJRETmk2Xp
InChI InChI=1S/C19H25NO7/c21-18-14-4-3-5-15(20-14)19(22)27-17-7-2-1-6-16(17)25-12-10-23-8-9-24-11-13-26-18/h3-5,16-17H,1-2,6-13H2/t16-,17-/s2
InChIKey LTRVNQHQKNYPGB-RXQGYGPJSA-N
Mol Weight 379.41 g/mol
Molecular Formula C19H25NO7
Exact Mass 379.163102 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5KNbMb2lQ0u
Name trans-2,3,5,6,8,9,18a,19,20,21,22,22a-DODECAHYDRO-17H-12,16-NITRILO-11H-1,4,7,10,18-BENZOPENTAOXACYCLOEICOSIN-11,17-DIONE
Source of Sample J. S. BRADSHAW, BRIGHAM YOUNG UNIVERSITY, PROVO, UTAH
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO7
InChI InChI=1S/C19H25NO7/c21-18-14-4-3-5-15(20-14)19(22)27-17-7-2-1-6-16(17)25-12-10-23-8-9-24-11-13-26-18/h3-5,16-17H,1-2,6-13H2/t16-,17-/s2
InChIKey LTRVNQHQKNYPGB-RXQGYGPJSA-N
Literature Reference J. ORG. CHEM. 45, 3554(1980) Abstract-Chemical Abstracts= 93, 186314(1980)
Melting Point 95-96.5C
Molecular Weight 379.408997
Synonyms NITRILO-11H-1,4,7,10,18-BENZOPENTA- OXACYCLOEICOSIN-11,17-DIONE, 17H-12,16-, 2,3,5,6,8,9,18A,19,20,21,- 22,22A-DODECAHYDRO-, TRANS-,
Technique FILM (CAST FROM CHCl3)