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1(2H)-Naphthalenone, octahydro-5-[(2-methoxyethoxy)methoxy]-5-methyl-8-(1-methylethyl)-, (4a.alpha.,5.beta.,8.alpha.,8a.alpha.)-(.+-.)-
SpectraBase Compound ID 5yzQeJRAQZD
InChI InChI=1S/C18H32O4/c1-13(2)14-8-9-18(3,22-12-21-11-10-20-4)15-6-5-7-16(19)17(14)15/h13-15,17H,5-12H2,1-4H3/t14-,15-,17-,18-/m1/s1
InChIKey PKRUJRDZHKXKFI-JOCBIADPSA-N
Mol Weight 312.5 g/mol
Molecular Formula C18H32O4
Exact Mass 312.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZPhZMDCbU3
Name 1(2H)-Naphthalenone, octahydro-5-[(2-methoxyethoxy)methoxy]-5-methyl-8-(1-methylethyl)-, (4a.alpha.,5.beta.,8.alpha.,8a.alpha.)-(.+-.)-
CAS Registry Number 94853-20-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O4
InChI InChI=1S/C18H32O4/c1-13(2)14-8-9-18(3,22-12-21-11-10-20-4)15-6-5-7-16(19)17(14)15/h13-15,17H,5-12H2,1-4H3/t14-,15-,17-,18-/m1/s1
InChIKey PKRUJRDZHKXKFI-JOCBIADPSA-N
Molecular Weight 312.450 g/mol
SMILES [C@@]12([C@](CC[C@]([C@@]2(CCCC1=O)[H])(OCOCCOC)C)(C(C)C)[H])[H]
SPLASH splash10-052k-9000000000-bd96c89250ee74394c63
Source of Spectrum F-40-3497-0
Synonyms (4aR,5R,8R,8aR)-8-isopropyl-5-[(2-methoxyethoxy)methoxy]-5-methyloctahydro-1(2H)-naphthalenone rac-(1R,2S,5R,6R,7R)-5-isopropyl-2-methyl-2-(1,3,6-trioxaheptyl)-bicyclo[4.4.0]decan-7-one
Wiley ID 1313412