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1,5-Naphthalenedione, octahydro-4a-methyl-, cis-
SpectraBase Compound ID 4ewuexvnX3u
InChI InChI=1S/C11H16O2/c1-11-7-3-5-9(12)8(11)4-2-6-10(11)13/h8H,2-7H2,1H3/t8-,11+/m0/s1
InChIKey BBZWIGKUKQJZEF-GZMMTYOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15ePX35TqB3
Name 1,5-Naphthalenedione, octahydro-4a-methyl-, cis-
Alternate Name(s) (4aR,8aR)-4a-methyloctahydro-1,5-naphthalenedione cis-9.beta.-methyl-10.beta.-decalin-1,5-dione
CAS Registry Number 126873-85-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-11-7-3-5-9(12)8(11)4-2-6-10(11)13/h8H,2-7H2,1H3/t8-,11+/m0/s1
InChIKey BBZWIGKUKQJZEF-GZMMTYOYSA-N
Molecular Weight 180.247 g/mol
SMILES [C@]12([C@](C(=O)CCC2)(CCCC1=O)[H])C
SPLASH splash10-05ot-7900000000-e1cfde2974aa8d670527
Source of Spectrum C-112-4006-7
Wiley ID 1176601