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(1R,3aR*,7aS*)-Hexahydro-.alpha.-isopropylidene-3a-methyl-7-methylene-1-indanacetic Acid
SpectraBase Compound ID FP4iJC3atrE
InChI InChI=1S/C16H24O2/c1-10(2)13(15(17)18)12-7-9-16(4)8-5-6-11(3)14(12)16/h12,14H,3,5-9H2,1-2,4H3,(H,17,18)/t12-,14+,16+/m0/s1
InChIKey HJRRAKLBPUGBQL-JGGQBBKZSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BqY2u15Tlah
Name (1R,3aR*,7aS*)-Hexahydro-.alpha.-isopropylidene-3a-methyl-7-methylene-1-indanacetic Acid
CAS Registry Number 127488-47-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-10(2)13(15(17)18)12-7-9-16(4)8-5-6-11(3)14(12)16/h12,14H,3,5-9H2,1-2,4H3,(H,17,18)/t12-,14+,16+/m0/s1
InChIKey HJRRAKLBPUGBQL-JGGQBBKZSA-N
Molecular Weight 248.366 g/mol
SMILES OC(C([C@]1([C@@]2([C@@](CCCC2=C)(C)CC1)[H])[H])=C(C)C)=O
SPLASH splash10-0563-8690000000-827dc1021c9ed06a523a
Source of Spectrum J-57-2028-56
Synonyms 2-[(1R,3aR,7aS)-3a-methyl-7-methyleneoctahydro-1H-inden-1-yl]-3-methyl-2-butenoic acid
Wiley ID 1251674