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[(3aR,4S,6aS)-2,2-dimethyl-5-(phenylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl methanoate
SpectraBase Compound ID 5nLQzG8MqEy
InChI InChI=1S/C16H21NO4/c1-16(2)20-14-9-17(8-12-6-4-3-5-7-12)13(10-19-11-18)15(14)21-16/h3-7,11,13-15H,8-10H2,1-2H3/t13-,14-,15+/m0/s1
InChIKey DIEQNXXJLHFBPI-SOUVJXGZSA-N
Mol Weight 291.35 g/mol
Molecular Formula C16H21NO4
Exact Mass 291.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdYrSH6WP9O
Name [(3aR,4S,6aS)-2,2-dimethyl-5-(phenylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl methanoate
Alternate Name(s) [(3aR,4S,6aS)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl formate formic acid [(3aR,4S,6aS)-2,2-dimethyl-5-(phenylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO4
InChI InChI=1S/C16H21NO4/c1-16(2)20-14-9-17(8-12-6-4-3-5-7-12)13(10-19-11-18)15(14)21-16/h3-7,11,13-15H,8-10H2,1-2H3/t13-,14-,15+/m0/s1
InChIKey DIEQNXXJLHFBPI-SOUVJXGZSA-N
Molecular Weight 291.347 g/mol
SMILES [C@@]1(N(C[C@@]2(OC(O[C@]12[H])(C)C)[H])Cc1ccccc1)(COC=O)[H]
SPLASH splash10-0006-9000000000-055fdfdecd5dd1f4eaaa
Source of Spectrum KC-0-807-23
Wiley ID 785235