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2-[(1S,4R)-4-acetoxycyclopent-2-en-1-yl]malonic acid dimethyl ester
SpectraBase Compound ID 735pDYn8ErA
InChI InChI=1S/C12H16O6/c1-7(13)18-9-5-4-8(6-9)10(11(14)16-2)12(15)17-3/h4-5,8-10H,6H2,1-3H3/t8-,9+/m1/s1
InChIKey YYLAITZVMQJHPW-BDAKNGLRSA-N
Mol Weight 256.25 g/mol
Molecular Formula C12H16O6
Exact Mass 256.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9AtTXLOb1CK
Name 2-[(1S,4R)-4-acetoxycyclopent-2-en-1-yl]malonic acid dimethyl ester
Alternate Name(s) 2-[(1S,4R)-4-acetyloxy-1-cyclopent-2-enyl]propanedioic acid dimethyl ester Dimethyl 2-[(1S,4R)-4-acetoxycyclopent-2-en-1-yl]propanedioate Dimethyl 2-[(1S,4R)-4-acetyloxycyclopent-2-en-1-yl]propanedioate
CAS Registry Number 128741-01-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O6
InChI InChI=1S/C12H16O6/c1-7(13)18-9-5-4-8(6-9)10(11(14)16-2)12(15)17-3/h4-5,8-10H,6H2,1-3H3/t8-,9+/m1/s1
InChIKey YYLAITZVMQJHPW-BDAKNGLRSA-N
Molecular Weight 256.254 g/mol
SMILES C([C@@]1(C=C[C@@](C1)(OC(=O)C)[H])[H])(C(=O)OC)C(=O)OC
SPLASH splash10-001i-5900000000-e523ece7ad158cda0240
Source of Spectrum H-72-1858-13
Wiley ID 1259417