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Propanedioic acid, (1'-acetyloctahydrospiro[1,3-dioxolane-2,7'(4'aH)-quinolin]-4'a-yl)-, dimethyl ester, cis-(.+-.)-
SpectraBase Compound ID 7gs9w2gjwtZ
InChI InChI=1S/C18H27NO7/c1-11-10-24-18(26-11)7-6-17(5-4-8-19-13(17)9-18)16(3,14(21)22)15(23)25-12(2)20/h11,13,19H,4-10H2,1-3H3,(H,21,22)/t11?,13-,16?,17+,18?/m1/s1
InChIKey RPIKAROFTSTITB-BZDRFTMCSA-N
Mol Weight 369.41 g/mol
Molecular Formula C18H27NO7
Exact Mass 369.178752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99WJB3qpB16
Name Propanedioic acid, (1'-acetyloctahydrospiro[1,3-dioxolane-2,7'(4'aH)-quinolin]-4'a-yl)-, dimethyl ester, cis-(.+-.)-
CAS Registry Number 80594-98-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO7
InChI InChI=1S/C18H27NO7/c1-11-10-24-18(26-11)7-6-17(5-4-8-19-13(17)9-18)16(3,14(21)22)15(23)25-12(2)20/h11,13,19H,4-10H2,1-3H3,(H,21,22)/t11?,13-,16?,17+,18?/m1/s1
InChIKey RPIKAROFTSTITB-BZDRFTMCSA-N
Molecular Weight 369.414 g/mol
SMILES N1CCC[C@@]2(C(C(=O)O)(C(OC(=O)C)=O)C)[C@]1(CC1(CC2)OC(C)CO1)[H]
SPLASH splash10-000i-0091000000-1cfb7fd197cc45078072
Source of Spectrum KC-1982-2472-0
Synonyms 2-[(4'aR,8'aR)-4-methyl-octahydro-1'H-spiro[1,3-dioxolane-2,7'-quinoline]-4'a-yl]-3-(acetyloxy)-2-methyl-3-oxopropanoic acid Dimethyl 1-acetyl-7,7-ethylenedioxy-cis-perhydroquinolin-4a-ylmalonate Spiro[1,3-dioxolane-2,7'(4'aH)-quinoline], propanedioic acid deriv.
Wiley ID 1353584