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1H-Pyrrole-2-carboxylic acid, 5-[1-(3,4-dihydro-3,3,5-trimethyl-2H-pyrrol-2-yl)ethyl]-3,4-dimethyl-, 1,1-dimethylethyl ester, N-oxide

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1H-Pyrrole-2-carboxylic acid, 5-[1-(3,4-dihydro-3,3,5-trimethyl-2H-pyrrol-2-yl)ethyl]-3,4-dimethyl-, 1,1-dimethylethyl ester, N-oxide
SpectraBase Compound ID KN33hzhWOMj
InChI InChI=1S/C20H32N2O3/c1-11-10-20(8,9)17(21-11)14(4)15-12(2)13(3)16(22(15)24)18(23)25-19(5,6)7/h14,17,22H,10H2,1-9H3
InChIKey CNEATILGOMXJAV-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C20H32N2O3
Exact Mass 348.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dnb0u2icLky
Name 1H-Pyrrole-2-carboxylic acid, 5-[1-(3,4-dihydro-3,3,5-trimethyl-2H-pyrrol-2-yl)ethyl]-3,4-dimethyl-, 1,1-dimethylethyl ester, N-oxide
Alternate Name(s) t-butyl 3,4-dimethyl-5-[1-(3,3,5-trimethyl-1-oxido-3,4-dihydro-2H-pyrrol-2-yl)ethyl]pyrrole-2-carboxylate tert-butyl 3,4-dimethyl-5-[1-(3,3,5-trimethyl-3,4-dihydro-2H-pyrrol-2-yl)ethyl]-1H-pyrrole-2-carboxylate 1-oxide
CAS Registry Number 121103-42-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32N2O3
InChI InChI=1S/C20H32N2O3/c1-11-10-20(8,9)17(21-11)14(4)15-12(2)13(3)16(22(15)24)18(23)25-19(5,6)7/h14,17,22H,10H2,1-9H3
InChIKey CNEATILGOMXJAV-UHFFFAOYSA-N
Molecular Weight 348.487 g/mol
SMILES [nH+]1(c(c(c(c1C(OC(C)(C)C)=O)C)C)C(C1N=C(C)CC1(C)C)C)[O-]
SPLASH splash10-014i-0900000000-05d2a222cca98b7cd618
Source of Spectrum KC-1989-271-0
Wiley ID 1340740