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1H-Cyclopropa[a]naphthalene-7-carboxylic acid, 1a,2,3,5,6,7,7a,7b-octahydro-1,1-dimethyl-, [1aS-(1a.alpha.,7.beta.,7a.beta.,7b.alpha.)]-
SpectraBase Compound ID IS4RNJDVlEE
InChI InChI=1S/C14H20O2/c1-14(2)10-7-6-8-4-3-5-9(13(15)16)11(8)12(10)14/h4,9-12H,3,5-7H2,1-2H3,(H,15,16)/t9-,10+,11-,12+/m0/s1
InChIKey RPBDYAHFCRFADZ-WHOHXGKFSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dI8TYNba4K
Name 1H-Cyclopropa[a]naphthalene-7-carboxylic acid, 1a,2,3,5,6,7,7a,7b-octahydro-1,1-dimethyl-, [1aS-(1a.alpha.,7.beta.,7a.beta.,7b.alpha.)]-
CAS Registry Number 77399-44-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-14(2)10-7-6-8-4-3-5-9(13(15)16)11(8)12(10)14/h4,9-12H,3,5-7H2,1-2H3,(H,15,16)/t9-,10+,11-,12+/m0/s1
InChIKey RPBDYAHFCRFADZ-WHOHXGKFSA-N
Molecular Weight 220.312 g/mol
SMILES OC([C@@]1([C@]2([C@@]3(C(C)(C)[C@@]3(CCC2=CCC1)[H])[H])[H])[H])=O
SPLASH splash10-05ai-1960000000-9d5e9285fee78131c4b5
Source of Spectrum K-114-125-0
Synonyms (1aR,7S,7aR,7bR)-1,1-dimethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[a]naphthalene-7-carboxylic acid (1aS-(1a.alpha.,7.beta.,7a.beta.,7b.alpha.)-1,1-dimethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa(a)naphthalin-7-carboxylic acid [1aS-(1a.alpha.,7.beta.,7a.beta.,7b.alpha.)]-1,1-dimethyl-1a,2,3,4,6,7,7a,7b-octahydro-1H-cyclopropa[a]naphthalin-7-carbonic acid
Wiley ID 1220134