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(+)-(S,4Rp,12Rp)-4-Benzyloxy-12-(4-isopropyloxazolin-2-yl)[2.2]paracyclophane
SpectraBase Compound ID 1mt5vkzQDIC
InChI InChI=1S/C29H31NO2/c1-20(2)27-19-32-29(30-27)26-16-21-8-12-24(26)13-9-22-11-15-25(14-10-21)28(17-22)31-18-23-6-4-3-5-7-23/h3-8,11-12,15-17,20,27H,9-10,13-14,18-19H2,1-2H3/t27-/m1/s1
InChIKey XUHQIGYVJSFAOL-HHHXNRCGSA-N
Mol Weight 425.57 g/mol
Molecular Formula C29H31NO2
Exact Mass 425.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhA9z8VbUM6
Name (+)-(S,4Rp,12Rp)-4-Benzyloxy-12-(4-isopropyloxazolin-2-yl)[2.2]paracyclophane
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Formula C29H31NO2
InChI InChI=1S/C29H31NO2/c1-20(2)27-19-32-29(30-27)26-16-21-8-12-24(26)13-9-22-11-15-25(14-10-21)28(17-22)31-18-23-6-4-3-5-7-23/h3-8,11-12,15-17,20,27H,9-10,13-14,18-19H2,1-2H3/t27-/m1/s1
InChIKey XUHQIGYVJSFAOL-HHHXNRCGSA-N
Literature Reference DOI 10.1002/adsc.200600233
Molecular Weight 425.572 g/mol
SMILES c12ccc(cc1OCc1ccccc1)CCc1c(C=3OC[C@@](N3)(C(C)C)[H])cc(cc1)CC2
SPLASH splash10-004i-1052900000-c06c298c1418b6762f52
Source of Spectrum ASC-348-2097-8b
Synonyms (-)-(S,4Sp,12Sp)-4-Benzyloxy-12-(4-isopropyloxazolin-2-yl)[2.2]paracyclophane
Wiley ID 1764979