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Bamethan 3AC
SpectraBase Compound ID KiHMWcnkRZd
InChI InChI=1S/C18H25NO5/c1-5-6-11-19(13(2)20)12-18(24-15(4)22)16-7-9-17(10-8-16)23-14(3)21/h7-10,18H,5-6,11-12H2,1-4H3
InChIKey QWVODKBLMUOHME-UHFFFAOYSA-N
Mol Weight 335.4 g/mol
Molecular Formula C18H25NO5
Exact Mass 335.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lSrBNnFpJ4
Name Bamethan 3AC
Classification Vasodilator
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Exact Mass 335.173272904 u
Formula C18H25NO5
InChI InChI=1S/C18H25NO5/c1-5-6-11-19(13(2)20)12-18(24-15(4)22)16-7-9-17(10-8-16)23-14(3)21/h7-10,18H,5-6,11-12H2,1-4H3
InChIKey QWVODKBLMUOHME-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 335.400 g/mol
Related CAS Registry Number(s) 3703-79-5
SMILES c1(OC(C)=O)ccc(cc1)C(OC(C)=O)CN(CCCC)C(=O)C
SPLASH splash10-0035-3940000000-2755d02dcb0b72cc8d22
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.
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_1402