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4-(3-acetoxy-2-(pyrrolidin-1-yl)hexanoyl)benzyl acetate
SpectraBase Compound ID KAuIzZKrtRp
InChI InChI=1S/C21H29NO5/c1-4-7-19(27-16(3)24)20(22-12-5-6-13-22)21(25)18-10-8-17(9-11-18)14-26-15(2)23/h8-11,19-20H,4-7,12-14H2,1-3H3
InChIKey GQYFVRMJLJKWLF-UHFFFAOYSA-N
Mol Weight 375.47 g/mol
Molecular Formula C21H29NO5
Exact Mass 375.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5K3qaUft4d8
Name 4-(3-acetoxy-2-(pyrrolidin-1-yl)hexanoyl)benzyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO5
InChI InChI=1S/C21H29NO5/c1-4-7-19(27-16(3)24)20(22-12-5-6-13-22)21(25)18-10-8-17(9-11-18)14-26-15(2)23/h8-11,19-20H,4-7,12-14H2,1-3H3
InChIKey GQYFVRMJLJKWLF-UHFFFAOYSA-N
Molecular Weight 375.465 g/mol
SMILES c1c(ccc(c1)C(C(C(CCC)OC(=O)C)N1CCCC1)=O)COC(C)=O
SPLASH splash10-000b-3900000000-9141effed120dbf56182
Source of Spectrum Dietmar Springer, et al. Journal of Chromatography B, V.789, 2003, P.79-91
Wiley ID 1816694