For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(+)-(1S,3R)-4(R)(e)-Isopropyl-4(S)(a)-methyladamantan-2-one
SpectraBase Compound ID Cf2Ve6ZgkxJ
InChI InChI=1S/C14H22O/c1-14(2,3)12-9-4-8-5-10(7-9)13(15)11(12)6-8/h8-12H,4-7H2,1-3H3/t8?,9-,10-,11-,12+/m1/s1
InChIKey KPUXFIDKECPHTH-MTAIEDJOSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 32WW73DwZUM
Name (+)-(1S,3R)-4(R)(e)-Isopropyl-4(S)(a)-methyladamantan-2-one
CAS Registry Number 95935-42-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O
InChI InChI=1S/C14H22O/c1-14(2,3)12-9-4-8-5-10(7-9)13(15)11(12)6-8/h8-12H,4-7H2,1-3H3/t8?,9-,10-,11-,12+/m1/s1
InChIKey KPUXFIDKECPHTH-MTAIEDJOSA-N
Molecular Weight 206.329 g/mol
SMILES [C@@]12(C([C@]3([H])CC(C2)C[C@@]([C@@]1(C(C)(C)C)[H])(C3)[H])=O)[H]
SPLASH splash10-01p9-0900000000-26faaee6d36716d27ade
Source of Spectrum C-108-4496-12
Synonyms (1R,3R,4S)-4-tert-butyltricyclo[3.3.1.1(3,7)]decan-2-one
Wiley ID 1205161