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Methyl 2-n-heptylpyrrolo[2,3-e]benzoxazole-5-carboxylate
SpectraBase Compound ID cnEFoUlytd
InChI InChI=1S/C18H22N2O3/c1-3-4-5-6-7-8-15-20-17-14(23-15)11-13(18(21)22-2)12-9-10-19-16(12)17/h9-11,19H,3-8H2,1-2H3
InChIKey QRVHLVQWYABUQH-UHFFFAOYSA-N
Mol Weight 314.38 g/mol
Molecular Formula C18H22N2O3
Exact Mass 314.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdSbeZS1erj
Name Methyl 2-n-heptylpyrrolo[2,3-e]benzoxazole-5-carboxylate
CAS Registry Number 116350-44-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O3
InChI InChI=1S/C18H22N2O3/c1-3-4-5-6-7-8-15-20-17-14(23-15)11-13(18(21)22-2)12-9-10-19-16(12)17/h9-11,19H,3-8H2,1-2H3
InChIKey QRVHLVQWYABUQH-UHFFFAOYSA-N
Molecular Weight 314.385 g/mol
SMILES [nH]1ccc2c(cc3oc(nc3c12)CCCCCCC)C(=O)OC
SPLASH splash10-03dj-0696000000-101acf75ea299910e834
Source of Spectrum J-53-5165-6
Synonyms Methyl 2-heptyl-8H-[1,3]oxazolo[5,4-g]indole-5-carboxylate
Wiley ID 1315150