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Cyclopenta[c]pentalene-1-carboxylic acid, 3,3a,4,5,5a,6,7,8-octahydro-3a,6-dimethyl-, ethyl ester, [3aS-(3a.alpha.,5a.beta.,6.beta.,8aR*)]-
SpectraBase Compound ID 54TumlPb8cv
InChI InChI=1S/C16H24O2/c1-4-18-14(17)13-7-9-15(3)8-6-12-11(2)5-10-16(12,13)15/h7,11-12H,4-6,8-10H2,1-3H3/t11-,12+,15+,16-/m1/s1
InChIKey BMLFZHVREGSWPI-GUYJKWIASA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6AGpQmzyZl
Name Cyclopenta[c]pentalene-1-carboxylic acid, 3,3a,4,5,5a,6,7,8-octahydro-3a,6-dimethyl-, ethyl ester, [3aS-(3a.alpha.,5a.beta.,6.beta.,8aR*)]-
Alternate Name(s) Ethyl (3aS,5aS,6R,8aS)-3a,6-dimethyl-3,3a,4,5,5a,6,7,8-octahydrocyclopenta[c]pentalene-1-carboxylate Ethyl ester of[3aS-(3a.alpha.,5a.beta.,6.beta.,8aR*)]-3,3a,4,5,5a,6,7,8-octahydro-3a,6-dimethylcyclopenta[c]pentalene-1-carboxylic acid
CAS Registry Number 80781-43-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-4-18-14(17)13-7-9-15(3)8-6-12-11(2)5-10-16(12,13)15/h7,11-12H,4-6,8-10H2,1-3H3/t11-,12+,15+,16-/m1/s1
InChIKey BMLFZHVREGSWPI-GUYJKWIASA-N
Molecular Weight 248.366 g/mol
SMILES [C@@]123C(=CC[C@@]3(CC[C@]1([C@](C)(CC2)[H])[H])C)C(=O)OCC
SPLASH splash10-0udi-7940000000-c331a8dc4df68e73f956
Source of Spectrum J-47-1527-0
Wiley ID 1251612