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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Aksl2OxHOL
Name Pentanoic acid, 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester
Alternate Name(s) 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-(1-hydroxyethyl)-3-methyl-2-oxidanyl-pentanoate 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-pentanoate 2-Hydroxy-2-(1-hydroxyethyl)-3-methyl-valeric acid pyrrolizidin-1-ylmethyl ester 2-Hydroxy-2-(1-hydroxyethyl)-3-methylpentanoic acid 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl ester
CAS Registry Number 68385-70-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 299.411 g/mol
SMILES OC(C(C(OCC1C2N(CCC2)CC1)=O)(C(CC)C)O)C
SPLASH splash10-006x-1910000000-da499daf0e2f5cc277b7
Source of Spectrum B-33-1361-0
Wiley ID 1301967