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2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,7-dimethyl-, trans-(.+-.)-
SpectraBase Compound ID 4ktlRdXUo8h
InChI InChI=1S/C12H18O/c1-9-3-5-12(2)6-4-11(13)8-10(12)7-9/h8-9H,3-7H2,1-2H3/t9-,12-/m1/s1
InChIKey LROHDRDYRKPWOS-BXKDBHETSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwNaISkeyMW
Name 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,7-dimethyl-, trans-(.+-.)-
CAS Registry Number 96616-87-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-9-3-5-12(2)6-4-11(13)8-10(12)7-9/h8-9H,3-7H2,1-2H3/t9-,12-/m1/s1
InChIKey LROHDRDYRKPWOS-BXKDBHETSA-N
Molecular Weight 178.275 g/mol
SMILES C1=2[C@@](CCC(C2)=O)(CC[C@](C1)(C)[H])C
SPLASH splash10-002r-0900000000-d5be0a4d1d60f05dfa40
Source of Spectrum J-50-2651-4
Synonyms (+/-)-trans-4,4a,5,6,7,8-hexahydro-4a,7-dimethyl-2-(3H)-naphthalenone (4aR,7R)-4a,7-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
Wiley ID 1174725