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securinol A

View entire compound with spectra: 2 MS (GC)

securinol A
SpectraBase Compound ID 4WQP4wyVsK8
InChI InChI=1S/C13H17NO3/c15-10-7-13-8(6-12(16)17-13)5-9(10)14-4-2-1-3-11(13)14/h6,9-11,15H,1-5,7H2/t9-,10-,11-,13-/m1/s1
InChIKey SVHWKXNNRMAUAN-PRULPYPASA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rksBdMENGn
Name securinol A
CAS Registry Number 5008-48-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c15-10-7-13-8(6-12(16)17-13)5-9(10)14-4-2-1-3-11(13)14/h6,9-11,15H,1-5,7H2/t9-,10-,11-,13-/m1/s1
InChIKey SVHWKXNNRMAUAN-PRULPYPASA-N
Molecular Weight 235.283 g/mol
SMILES O[C@@]1(C[C@]23C(C[C@]1(N1[C@@]3(CCCC1)[H])[H])=CC(O2)=O)[H]
SPLASH splash10-000x-9710000000-0a2999ac840f74c575d5
Source of Spectrum CD-230-0-0
Wiley ID 1237102