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2-Naphthaleneacetic acid, 1,2,3,4,4a,5,8,8a-octahydro-3,3,7-trimethyl-4-methylene-, [2S-(2.alpha.,4a.beta.,8a.alpha.)]-
SpectraBase Compound ID HszQunW5b3x
InChI InChI=1S/C16H24O2/c1-10-5-6-14-11(2)16(3,4)13(9-15(17)18)8-12(14)7-10/h5,12-14H,2,6-9H2,1,3-4H3,(H,17,18)/t12-,13+,14-/m1/s1
InChIKey SMMCFMWYKGMUOD-HZSPNIEDSA-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 3gcDqRT8gcI
Name 2-Naphthaleneacetic acid, 1,2,3,4,4a,5,8,8a-octahydro-3,3,7-trimethyl-4-methylene-, [2S-(2.alpha.,4a.beta.,8a.alpha.)]-
CAS Registry Number 119371-63-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-10-5-6-14-11(2)16(3,4)13(9-15(17)18)8-12(14)7-10/h5,12-14H,2,6-9H2,1,3-4H3,(H,17,18)/t12-,13+,14-/m1/s1
InChIKey SMMCFMWYKGMUOD-HZSPNIEDSA-N
Molecular Weight 248.366 g/mol
SMILES OC(C[C@]1(C(C([C@@]2([C@@](C1)(CC(=CC2)C)[H])[H])=C)(C)C)[H])=O
SPLASH splash10-05ox-5910000000-8cb066383532ac6f12c2
Source of Spectrum F-44-6586-7
Synonyms (3S,4aS,8aS)-2,2,6-trimethyl-1-methylene-1,2,3,4,4a,5,8,8a-octahydronaphthalene-3-ylacetic acid [(2S,4aS,8aS)-3,3,7-trimethyl-4-methylene-1,2,3,4,4a,5,8,8a-octahydro-2-naphthalenyl]acetic acid
Wiley ID 1251640