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3a(4H)-Indanacetic acid, 7,7a-dihydro-3-oxo-, methyl ester, cis-
SpectraBase Compound ID 4HvqQ1foeqp
InChI InChI=1S/C12H16O3/c1-15-11(14)8-12-7-3-2-4-9(12)5-6-10(12)13/h2-3,9H,4-8H2,1H3/t9-,12+/m0/s1
InChIKey URRSXRPDNQFCCP-JOYOIKCWSA-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 Lf9EEGG3mjB
Name 3a(4H)-Indanacetic acid, 7,7a-dihydro-3-oxo-, methyl ester, cis-
Alternate Name(s) 7a-methoxycarbonylmethyl-3aS,7aR-3a,4,7,7a-tetrahydroindan-1-one 3aH-Indene-3a-acetic acid, 1,2,3,4,7,7a-hexahydro-3-oxo-, methyl ester, cis- cis-7a-methoxycarbonylmethyl-3a,4,7,7a-tetrahydroindan-1-one methyl[(3aR,7aR)-3-oxo-1,2,3,4,7,7a-hexahydro-3aH-inden-3a-yl]acetate
CAS Registry Number 10309-03-2
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(14)8-12-7-3-2-4-9(12)5-6-10(12)13/h2-3,9H,4-8H2,1H3/t9-,12+/m0/s1
InChIKey URRSXRPDNQFCCP-JOYOIKCWSA-N
Molecular Weight 208.257 g/mol
SMILES [C@@]12(C(CC[C@@]2(CC=CC1)[H])=O)CC(=O)OC
SPLASH splash10-001i-0940000000-e9ffec1a95285c8eaf6c
Source of Spectrum KC-1987-762-9
Wiley ID 1206919