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

View entire compound with spectra: 1 MS (GC)

(1S,2R)-Benzoic acid 1,2-diphenyl-2-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydrocyclopropa[3,4]cyclopenta[1,2-c]pyrazol-2-yl-2-yl)ethyl ester
SpectraBase Compound ID 17z6Qzti0wR
InChI InChI=1S/C31H30N2O2/c1-20-26-25(19-24-27(26)31(24,2)3)33(32-20)28(21-13-7-4-8-14-21)29(22-15-9-5-10-16-22)35-30(34)23-17-11-6-12-18-23/h4-18,24,27-29H,19H2,1-3H3/t24-,27-,28-,29+/m1/s1
InChIKey AMVBDBBWJXGGCN-XDOPXQJJSA-N
Mol Weight 462.59 g/mol
Molecular Formula C31H30N2O2
Exact Mass 462.230728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6izVLa9wvZ1
Name (1S,2R)-Benzoic acid 1,2-diphenyl-2-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydrocyclopropa[3,4]cyclopenta[1,2-c]pyrazol-2-yl-2-yl)ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H30N2O2
InChI InChI=1S/C31H30N2O2/c1-20-26-25(19-24-27(26)31(24,2)3)33(32-20)28(21-13-7-4-8-14-21)29(22-15-9-5-10-16-22)35-30(34)23-17-11-6-12-18-23/h4-18,24,27-29H,19H2,1-3H3/t24-,27-,28-,29+/m1/s1
InChIKey AMVBDBBWJXGGCN-XDOPXQJJSA-N
Molecular Weight 462.593 g/mol
SMILES c12[n](nc(c2[C@@]2([H])[C@](C2(C)C)(C1)[H])C)[C@@]([C@@](OC(=O)c1ccccc1)(c1ccccc1)[H])(c1ccccc1)[H]
SPLASH splash10-0a6r-4931100000-15893723c0ee43079eb3
Source of Spectrum KD-12-2880-6
Wiley ID 1634764