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(1S,2S)-Benzoic acid 2-((3bS,4aR)-3,4,4-Trimethyl-3b,4,4a,5-tetrahydrocyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)cyclohexyl ester

View entire compound with spectra: 1 MS (GC)

(1S,2S)-Benzoic acid 2-((3bS,4aR)-3,4,4-Trimethyl-3b,4,4a,5-tetrahydrocyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)cyclohexyl ester
SpectraBase Compound ID 2obFLNWT3gf
InChI InChI=1S/C23H28N2O2/c1-14-20-18(13-16-21(20)23(16,2)3)25(24-14)17-11-7-8-12-19(17)27-22(26)15-9-5-4-6-10-15/h4-6,9-10,16-17,19,21H,7-8,11-13H2,1-3H3/t16-,17+,19+,21-/m1/s1
InChIKey KVAGKWGEIUAZLH-QRKMNUTDSA-N
Mol Weight 364.49 g/mol
Molecular Formula C23H28N2O2
Exact Mass 364.215078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DtruaBZiR3w
Name (1S,2S)-Benzoic acid 2-((3bS,4aR)-3,4,4-Trimethyl-3b,4,4a,5-tetrahydrocyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)cyclohexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28N2O2
InChI InChI=1S/C23H28N2O2/c1-14-20-18(13-16-21(20)23(16,2)3)25(24-14)17-11-7-8-12-19(17)27-22(26)15-9-5-4-6-10-15/h4-6,9-10,16-17,19,21H,7-8,11-13H2,1-3H3/t16-,17+,19+,21-/m1/s1
InChIKey KVAGKWGEIUAZLH-QRKMNUTDSA-N
Molecular Weight 364.489 g/mol
SMILES c12[C@@]3(C(C)(C)[C@]3([H])Cc1[n]([C@@]1([C@@](OC(=O)c3ccccc3)(CCCC1)[H])[H])nc2C)[H]
SPLASH splash10-054k-2956000000-d317e91e2d88cb6d313a
Source of Spectrum KD-12-2879-9
Synonyms (1S,2S)-2-[(3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]cyclohexyl benzoate
Wiley ID 1634766