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Sacubitrilate -H2O -C4H4O3    @
SpectraBase Compound ID GO1ZlpeTez3
InChI InChI=1S/C18H19NO/c1-13-11-17(19-18(13)20)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3,(H,19,20)
InChIKey AFMGAVDATRJOJG-UHFFFAOYSA-N
Mol Weight 265.36 g/mol
Molecular Formula C18H19NO
Exact Mass 265.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ec6GJeB0QNW
Name Sacubitrilate -H2O -C4H4O3 @
Classification Antihypertensive
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Exact Mass 265.146664235 u
Formula C18H19NO
InChI InChI=1S/C18H19NO/c1-13-11-17(19-18(13)20)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3,(H,19,20)
InChIKey AFMGAVDATRJOJG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 265.356 g/mol
Related CAS Registry Number(s) 149709-62-6
SMILES c1ccccc1-c1ccc(cc1)CC1CC(C(N1)=O)C
SPLASH splash10-00kb-9600000000-0b2a2e93f8895011b7b8
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Sacubitril-M (Sacubitrilate) -H2O -C4H4O3
Technique GC/MS
Wiley ID MMPW6e_10592