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3a-Isopropyl-2,6,6-trimethyl-cis-perhydroisoindol-5-one
SpectraBase Compound ID 6fY8234YN9G
InChI InChI=1S/C14H25NO/c1-10(2)14-7-12(16)13(3,4)6-11(14)8-15(5)9-14/h10-11H,6-9H2,1-5H3/t11-,14+/m0/s1
InChIKey ZCABAKMZBMCYAZ-SMDDNHRTSA-N
Mol Weight 223.36 g/mol
Molecular Formula C14H25NO
Exact Mass 223.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLdqaNODKYj
Name 3a-Isopropyl-2,6,6-trimethyl-cis-perhydroisoindol-5-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H25NO
InChI InChI=1S/C14H25NO/c1-10(2)14-7-12(16)13(3,4)6-11(14)8-15(5)9-14/h10-11H,6-9H2,1-5H3/t11-,14+/m0/s1
InChIKey ZCABAKMZBMCYAZ-SMDDNHRTSA-N
Molecular Weight 223.360 g/mol
SMILES [C@@]12([C@@](CC(C(C2)=O)(C)C)(CN(C1)C)[H])C(C)C
SPLASH splash10-0ab9-9520000000-64f857960dc6bcf5b565
Source of Spectrum B-29-1974-0
Synonyms (3aR,7aR)-3a-isopropyl-2,6,6-trimethyloctahydro-5H-isoindol-5-one
Wiley ID 1224171