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Ethyl (3aR,4R,7aS)-1-Allyl-2-methyl-4-(1-ethylpropoxy)-3a,4,7,7a-tetrahydrobenzimidazole-6-carboxylate
SpectraBase Compound ID 8Jigw2JZZuQ
InChI InChI=1S/C19H30N2O3/c1-6-10-21-13(5)20-18-16(21)11-14(19(22)23-9-4)12-17(18)24-15(7-2)8-3/h6,12,15-18H,1,7-11H2,2-5H3/t16-,17+,18+/m0/s1
InChIKey QEDMAMKSQGBSGJ-RCCFBDPRSA-N
Mol Weight 334.46 g/mol
Molecular Formula C19H30N2O3
Exact Mass 334.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcHByGBDuqg
Name Ethyl (3aR,4R,7aS)-1-Allyl-2-methyl-4-(1-ethylpropoxy)-3a,4,7,7a-tetrahydrobenzimidazole-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30N2O3
InChI InChI=1S/C19H30N2O3/c1-6-10-21-13(5)20-18-16(21)11-14(19(22)23-9-4)12-17(18)24-15(7-2)8-3/h6,12,15-18H,1,7-11H2,2-5H3/t16-,17+,18+/m0/s1
InChIKey QEDMAMKSQGBSGJ-RCCFBDPRSA-N
Molecular Weight 334.460 g/mol
SMILES C1(=N[C@@]2([C@@](N1CC=C)(CC(=C[C@]2(OC(CC)CC)[H])C(=O)OCC)[H])[H])C
SPLASH splash10-01ot-5691000000-27dbbd22a88cd8e42204
Source of Spectrum J-66-2051-32
Synonyms Ethyl (3aR,4R,7aS)-1-allyl-4-(1-ethylpropoxy)-2-methyl-3a,4,7,7a-tetrahydro-1H-benzimidazole-6-carboxylate (3aS,7R,7aR)-2-methyl-7-pentan-3-yloxy-3-prop-2-enyl-3a,4,7,7a-tetrahydrobenzimidazole-5-carboxylic acid ethyl ester Ethyl (3aS,7R,7aR)-3-allyl-7-(1-ethylpropoxy)-2-methyl-3a,4,7,7a-tetrahydrobenzimidazole-5-carboxylate Ethyl (3aS,7R,7aR)-2-methyl-7-pentan-3-yloxy-3-prop-2-enyl-3a,4,7,7a-tetrahydrobenzimidazole-5-carboxylate
Wiley ID 1534841