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Quettaminium ion

View entire compound with spectra: 1 MS (GC)

Quettaminium ion
SpectraBase Compound ID LGU8RSeCEpy
InChI InChI=1S/C19H21NO3/c1-20(2)11-10-12-6-9-15(22-3)19-16(12)17(20)18(23-19)13-4-7-14(21)8-5-13/h4-9,17-18H,10-11H2,1-3H3/p+1/t17-,18+/m0/s1
InChIKey LQHAQKPJBTXMIP-ZWKOTPCHSA-O
Mol Weight 312.39 g/mol
Molecular Formula C19H22NO3
Exact Mass 312.159969 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID sQmknfOQN1
Name Quettaminium ion
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22NO3
InChI InChI=1S/C19H21NO3/c1-20(2)11-10-12-6-9-15(22-3)19-16(12)17(20)18(23-19)13-4-7-14(21)8-5-13/h4-9,17-18H,10-11H2,1-3H3/p+1/t17-,18+/m0/s1
InChIKey LQHAQKPJBTXMIP-ZWKOTPCHSA-O
Molecular Weight 312.389 g/mol
SMILES Oc1ccc([C@@]2([C@@]3(c4c(O2)c(OC)ccc4CC[N+]3(C)C)[H])[H])cc1
SPLASH splash10-0a4i-9000000000-0f3a2b17595c41ee05ae
Source of Spectrum X2-47-769-50
Wiley ID 1601554