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4a(2H)-Naphthalenol, 3-(1,1-dimethylethyl)octahydro-, acetate, (3.alpha.,4a.beta.,8a.alpha.)-
SpectraBase Compound ID m5XWd903Aj
InChI InChI=1S/C16H28O2/c1-12(17)18-16-10-6-5-7-13(16)8-9-14(11-16)15(2,3)4/h13-14H,5-11H2,1-4H3/t13-,14-,16+/m0/s1
InChIKey JWIULPWIBSZOMU-OFQRWUPVSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LsvVbmE26J
Name 4a(2H)-Naphthalenol, 3-(1,1-dimethylethyl)octahydro-, acetate, (3.alpha.,4a.beta.,8a.alpha.)-
CAS Registry Number 58729-12-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-12(17)18-16-10-6-5-7-13(16)8-9-14(11-16)15(2,3)4/h13-14H,5-11H2,1-4H3/t13-,14-,16+/m0/s1
InChIKey JWIULPWIBSZOMU-OFQRWUPVSA-N
Molecular Weight 252.398 g/mol
SMILES [C@@]12(OC(=O)C)C[C@@](C(C)(C)C)(CC[C@@]2(CCCC1)[H])[H]
SPLASH splash10-052r-9800000000-4f1ecb9d52b701517787
Source of Spectrum B-31-819-0
Synonyms (3S,4aR,8aS)-3-tert-butyloctahydro-4a(2H)-naphthalenyl acetate 3.alpha.-t-butyl-1,3,4,5,6,7,8,8a.alpha.-octahydronaphthalen-4a.beta.(2H)-ylacetate
Wiley ID 1256133