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4a,8a-Methanonaphthalen-1(2H)-one, hexahydro-7-(1-hydroxy-1-methylethyl)-, [4aR-(4a.alpha.,7.alpha.,8a.alpha.)]-
SpectraBase Compound ID zzvpnCSwJh
InChI InChI=1S/C14H22O2/c1-12(2,16)10-3-5-13-6-4-11(15)8-14(13,7-10)9-13/h10,16H,3-9H2,1-2H3/t10-,13+,14-/m0/s1
InChIKey RPPPMLKYDNBGOX-GDLCADMTSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RGSXy6OYYP
Name 4a,8a-Methanonaphthalen-1(2H)-one, hexahydro-7-(1-hydroxy-1-methylethyl)-, [4aR-(4a.alpha.,7.alpha.,8a.alpha.)]-
CAS Registry Number 108711-71-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-12(2,16)10-3-5-13-6-4-11(15)8-14(13,7-10)9-13/h10,16H,3-9H2,1-2H3/t10-,13+,14-/m0/s1
InChIKey RPPPMLKYDNBGOX-GDLCADMTSA-N
Molecular Weight 222.328 g/mol
SMILES OC([C@@]1(C[C@@]23[C@](CC1)(CCC(C3)=O)C2)[H])(C)C
SPLASH splash10-0a4l-5900000000-c9477f95054e677dfbeb
Source of Spectrum J-52-3002-10
Synonyms (1R,6R,9S)-9-(2-hydroxypropan-2-yl)tricyclo[4.4.1.0(1,6)]undecan-3-one (4aR,7R,8aR)-7-(1-methyl-1-hydroxyethyl)-3,4,5,6,7,8-hexahydro-4a,8a-methanonaphthalen-1(2H)-one
Wiley ID 1222924