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(1R,3aR,4S,7R,7aR)-Methyl 3-isopropyl-1-hydroxymethyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoinden-2-carboxylate
SpectraBase Compound ID 98bjhkHc0ON
InChI InChI=1S/C16H22O3/c1-8(2)12-14-10-5-4-9(6-10)13(14)11(7-17)15(12)16(18)19-3/h4-5,8-11,13-14,17H,6-7H2,1-3H3/t9-,10+,11+,13-,14-/m0/s1
InChIKey QKOMNIWCKLIYQW-AXMVNOCNSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YROAWf7Hav
Name (1R,3aR,4S,7R,7aR)-Methyl 3-isopropyl-1-hydroxymethyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoinden-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-8(2)12-14-10-5-4-9(6-10)13(14)11(7-17)15(12)16(18)19-3/h4-5,8-11,13-14,17H,6-7H2,1-3H3/t9-,10+,11+,13-,14-/m0/s1
InChIKey QKOMNIWCKLIYQW-AXMVNOCNSA-N
Molecular Weight 262.349 g/mol
SMILES OC[C@@]1([C@@]2([C@]3(C=C[C@]([C@]2(C(=C1C(=O)OC)C(C)C)[H])([H])C3)[H])[H])[H]
SPLASH splash10-014i-2900000000-6d2f2cc581db9839bbc6
Source of Spectrum F-70-1662-0
Synonyms Methyl (1S,2R,5R,6R,7R)-5-(hydroxymethyl)-3-isopropyltricyclo[5.2.1.0(2,6)]deca-3,8-diene-4-carboxylate
Wiley ID 1596269