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dl-Clavicipitic acid

View entire compound with spectra: 1 MS (GC)

dl-Clavicipitic acid
SpectraBase Compound ID 5Aj7ucxwT08
InChI InChI=1S/C16H18N2O2/c1-9(2)6-13-11-4-3-5-12-15(11)10(8-17-12)7-14(18-13)16(19)20/h3-6,8,13-14,17-18H,7H2,1-2H3,(H,19,20)/t13?,14-/m0/s1
InChIKey VZMAHZAQMKNJIG-KZUDCZAMSA-N
Mol Weight 270.33 g/mol
Molecular Formula C16H18N2O2
Exact Mass 270.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H6U1T4el1i4
Name dl-Clavicipitic acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O2
InChI InChI=1S/C16H18N2O2/c1-9(2)6-13-11-4-3-5-12-15(11)10(8-17-12)7-14(18-13)16(19)20/h3-6,8,13-14,17-18H,7H2,1-2H3,(H,19,20)/t13?,14-/m0/s1
InChIKey VZMAHZAQMKNJIG-KZUDCZAMSA-N
Molecular Weight 270.332 g/mol
SMILES N1C(c2c3c(C[C@]1(C(=O)O)[H])c[nH]c3ccc2)C=C(C)C
SPLASH splash10-006x-9050000000-6b02e3c6dd58b2fcd358
Source of Spectrum K1-2004-1251-6
Wiley ID 1560569