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3a(4H)-Indanacetic acid, 7,7a-dihydro-3-oxo-, methyl ester, trans-
SpectraBase Compound ID 7YPxsem5AtB
InChI InChI=1S/C12H16O3/c1-15-11(13)7-9-6-8-4-2-3-5-10(8)12(9)14/h2-3,8-10H,4-7H2,1H3/t8-,9?,10+/m1/s1
InChIKey YQAPHQFRITZEAT-FIBVVXLUSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0E7wGkqHmx
Name 3a(4H)-Indanacetic acid, 7,7a-dihydro-3-oxo-, methyl ester, trans-
Alternate Name(s) 3aH-Indene-3a-acetic acid, 1,2,3,4,7,7a-hexahydro-3-oxo-, methyl ester, trans- 2-Methoxycarbonylmethyl-3as,7aS-3a,4,7,7a-tetrahydroindan-1-one methyl[(3aR,7aS)-1-oxo-2,3,3a,4,7,7a-hexahydro-1H-inden-2-yl]acetate trans-7a-methoxycarbonylmethyl-3a,4,7,7a-tetrahydroindan-1-one
CAS Registry Number 10309-05-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-15-11(13)7-9-6-8-4-2-3-5-10(8)12(9)14/h2-3,8-10H,4-7H2,1H3/t8-,9?,10+/m1/s1
InChIKey YQAPHQFRITZEAT-FIBVVXLUSA-N
Molecular Weight 208.257 g/mol
SMILES C1(C(C[C@@]2([C@@]1(CC=CC2)[H])[H])CC(=O)OC)=O
SPLASH splash10-014i-0910000000-ebb17d14473c568ce3fa
Source of Spectrum KC-1987-762-9
Wiley ID 1206918