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Otonecine 2'-ethylidenehexaneo-1',6'-dioate

View entire compound with spectra: 1 MS (GC)

Otonecine 2'-ethylidenehexaneo-1',6'-dioate
SpectraBase Compound ID YcITLHAQty
InChI InChI=1S/C17H23NO5/c1-3-12-5-4-6-15(19)22-11-13-7-9-18(2)10-8-14(16(13)20)23-17(12)21/h3,7,14H,4-6,8-11H2,1-2H3/b12-3+,13-7-
InChIKey IPRFYUQMBFLYGW-DUDMVRDUSA-N
Mol Weight 321.37 g/mol
Molecular Formula C17H23NO5
Exact Mass 321.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYFVwcbA6AQ
Name Otonecine 2'-ethylidenehexaneo-1',6'-dioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO5
InChI InChI=1S/C17H23NO5/c1-3-12-5-4-6-15(19)22-11-13-7-9-18(2)10-8-14(16(13)20)23-17(12)21/h3,7,14H,4-6,8-11H2,1-2H3/b12-3+,13-7-
InChIKey IPRFYUQMBFLYGW-DUDMVRDUSA-N
Molecular Weight 321.373 g/mol
SMILES C1(OC2C(\C(=C/CN(CC2)C)COC(CCC\C1=C\C)=O)=O)=O
SPLASH splash10-00di-0729000000-a49fb851ddd7f7b87c2b
Source of Spectrum AJ-67-2347-3
Wiley ID 772725