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Pentanoic acid, 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Pentanoic acid, 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester
SpectraBase Compound ID H8A6toCCAw2
InChI InChI=1S/C16H29NO4/c1-4-11(2)16(20,12(3)18)15(19)21-10-13-7-9-17-8-5-6-14(13)17/h11-14,18,20H,4-10H2,1-3H3
InChIKey VBLBKKUAYMFOAG-UHFFFAOYSA-N
Mol Weight 299.41 g/mol
Molecular Formula C16H29NO4
Exact Mass 299.209658 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BCIwQlvwoT
Name Pentanoic acid, 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.209658414 u
Formula C16H29NO4
InChI InChI=1S/C16H29NO4/c1-4-11(2)16(20,12(3)18)15(19)21-10-13-7-9-17-8-5-6-14(13)17/h11-14,18,20H,4-10H2,1-3H3
InChIKey VBLBKKUAYMFOAG-UHFFFAOYSA-N
SMILES C(C(OCC1C2N(CCC2)CC1)=O)(C(O)C)(C(CC)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.837865