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Sacubitril -H2O -C4H4O3 AC
SpectraBase Compound ID Fu3oQwa4gHT
InChI InChI=1S/C20H21NO2/c1-14-12-19(21(15(2)22)20(14)23)13-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14,19H,12-13H2,1-2H3
InChIKey GPCDWKTVCCALSJ-UHFFFAOYSA-N
Mol Weight 307.39 g/mol
Molecular Formula C20H21NO2
Exact Mass 307.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID aPxZho4Se
Name Sacubitril -H2O -C4H4O3 AC
Classification Antihypertensive
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Exact Mass 307.157228918 u
Formula C20H21NO2
InChI InChI=1S/C20H21NO2/c1-14-12-19(21(15(2)22)20(14)23)13-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14,19H,12-13H2,1-2H3
InChIKey GPCDWKTVCCALSJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 307.393 g/mol
Related CAS Registry Number(s) 149709-62-6
SMILES c1ccccc1-c1ccc(CC2CC(C(N2C(C)=O)=O)C)cc1
SPLASH splash10-0002-9610000000-bfd7d9cb2fcade080890
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
Technique GC/MS
Wiley ID MMPW6e_10595