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7a-Methoxycarbonylmethyl-cis-perhydroindan-1-one
SpectraBase Compound ID sEvmqFbq8I
InChI InChI=1S/C12H18O3/c1-15-11(14)8-12-7-3-2-4-9(12)5-6-10(12)13/h9H,2-8H2,1H3/t9-,12+/m0/s1
InChIKey QVCVLUIJSOPNRC-JOYOIKCWSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQQbN62YQuH
Name 7a-Methoxycarbonylmethyl-cis-perhydroindan-1-one
Alternate Name(s) methyl[(3aS,7aR)-3-oxooctahydro-3aH-inden-3a-yl]acetate
Comments Less than 3 mono-isotopic peaks
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Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-15-11(14)8-12-7-3-2-4-9(12)5-6-10(12)13/h9H,2-8H2,1H3/t9-,12+/m0/s1
InChIKey QVCVLUIJSOPNRC-JOYOIKCWSA-N
Molecular Weight 210.273 g/mol
SMILES [C@@]12(C(CC[C@@]2(CCCC1)[H])=O)CC(=O)OC
SPLASH splash10-000i-0900000000-3197a8fb1d66426712b5
Source of Spectrum KC-0-1031-10
Wiley ID 785574