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1,4,7,10,13,16-Hexaoxacyclooctadecane-2-carboxylic acid, 3-[(butylamino)carbonyl]-, [2R-(2R*,3R*)]-
SpectraBase Compound ID GCXTeWz6wFH
InChI InChI=1S/C18H33NO9/c1-2-3-4-19-17(20)15-16(18(21)22)28-14-12-26-10-8-24-6-5-23-7-9-25-11-13-27-15/h15-16H,2-14H2,1H3,(H,19,20)(H,21,22)/t15-,16-/m1/s1
InChIKey MFZRHGBTQWYOJA-HZPDHXFCSA-N
Mol Weight 407.5 g/mol
Molecular Formula C18H33NO9
Exact Mass 407.215532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2V4mKXeXChh
Name 1,4,7,10,13,16-Hexaoxacyclooctadecane-2-carboxylic acid, 3-[(butylamino)carbonyl]-, [2R-(2R*,3R*)]-
Alternate Name(s) (2R,3R)-3-[(butylamino)carbonyl]-1,4,7,10,13,16-hexaoxacyclooctadecane-2-carboxylic acid 2r,3R-(+)-n-butyl-2-carboxamido-3-carboxyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CAS Registry Number 79623-36-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H33NO9
InChI InChI=1S/C18H33NO9/c1-2-3-4-19-17(20)15-16(18(21)22)28-14-12-26-10-8-24-6-5-23-7-9-25-11-13-27-15/h15-16H,2-14H2,1H3,(H,19,20)(H,21,22)/t15-,16-/m1/s1
InChIKey MFZRHGBTQWYOJA-HZPDHXFCSA-N
Molecular Weight 407.460 g/mol
SMILES OC([C@]1([C@](C(=O)NCCCC)(OCCOCCOCCOCCOCCO1)[H])[H])=O
SPLASH splash10-0a4i-0013900000-ed0e32766f2522a9fc82
Source of Spectrum I-59-1731-0
Wiley ID 1372510