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1,4,7,10,13-Pentaoxacyclopentadecane-2-carboxylic acid, 3-[(octylamino)carbonyl]-, [2R-(2R*,3R*)]-
SpectraBase Compound ID JwVpKZU7v7v
InChI InChI=1S/C20H37NO8/c1-2-3-4-5-6-7-8-21-19(22)17-18(20(23)24)29-16-14-27-12-10-25-9-11-26-13-15-28-17/h17-18H,2-16H2,1H3,(H,21,22)(H,23,24)/t17-,18-/m1/s1
InChIKey JTCPMOCDJVACMK-QZTJIDSGSA-N
Mol Weight 419.5 g/mol
Molecular Formula C20H37NO8
Exact Mass 419.251917 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgEFY6luUjd
Name 1,4,7,10,13-Pentaoxacyclopentadecane-2-carboxylic acid, 3-[(octylamino)carbonyl]-, [2R-(2R*,3R*)]-
CAS Registry Number 79702-85-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H37NO8
InChI InChI=1S/C20H37NO8/c1-2-3-4-5-6-7-8-21-19(22)17-18(20(23)24)29-16-14-27-12-10-25-9-11-26-13-15-28-17/h17-18H,2-16H2,1H3,(H,21,22)(H,23,24)/t17-,18-/m1/s1
InChIKey JTCPMOCDJVACMK-QZTJIDSGSA-N
Molecular Weight 419.515 g/mol
SMILES OC([C@]1([C@](C(=O)NCCCCCCCC)(OCCOCCOCCOCCO1)[H])[H])=O
SPLASH splash10-00di-0020900000-cacf51df3c1e4dbd5212
Source of Spectrum I-59-1731-0
Synonyms (2R,3R)-3-[(octylamino)carbonyl]-1,4,7,10,13-pentaoxacyclopentadecane-2-carboxylic acid 2r,3R-(+)-N-octyl-2-carboxamido-3-carboxyl-1,4,7,10,13-pentaoxacyclopentadecane
Wiley ID 1377568