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Benzo[a]cyclopropa[cd]pentalene-1-carboxylic acid, 1,2,2a,2b,6b,6c-hexahydro-1,2-dihydroxy-2a,6c-diphenyl-, methyl ester, (1.alpha.,2.alpha.,2a.alpha.,2b.alpha.,6b.alpha.,6c.alpha.)-
SpectraBase Compound ID udMI4QY3FG
InChI InChI=1S/C26H22O4/c1-30-23(28)26(29)21-19-15-9-8-14-18(19)20-24(21,16-10-4-2-5-11-16)25(20,22(26)27)17-12-6-3-7-13-17/h2-15,20-22,27,29H,1H3/t20?,21-,22-,24?,25-,26-/m1/s1
InChIKey ZYHSOFNNUPLZON-OPHIXMQGSA-N
Mol Weight 398.46 g/mol
Molecular Formula C26H22O4
Exact Mass 398.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7p9Vr6HN3Z
Name Benzo[a]cyclopropa[cd]pentalene-1-carboxylic acid, 1,2,2a,2b,6b,6c-hexahydro-1,2-dihydroxy-2a,6c-diphenyl-, methyl ester, (1.alpha.,2.alpha.,2a.alpha.,2b.alpha.,6b.alpha.,6c.alpha.)-
Alternate Name(s) Methyl 1,2-dihydroxy-2a,6c-diphenyl-1,2,2a,2b,6b,6c-hexahydrobenzo[a]cyclopropa[cd]pentalene-1-carboxylate
CAS Registry Number 40897-27-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22O4
InChI InChI=1S/C26H22O4/c1-30-23(28)26(29)21-19-15-9-8-14-18(19)20-24(21,16-10-4-2-5-11-16)25(20,22(26)27)17-12-6-3-7-13-17/h2-15,20-22,27,29H,1H3/t20?,21-,22-,24?,25-,26-/m1/s1
InChIKey ZYHSOFNNUPLZON-OPHIXMQGSA-N
Molecular Weight 398.458 g/mol
SMILES O[C@@]1([C@@]2(C3(C2c2ccccc2[C@]3([C@@]1(C(=O)OC)O)[H])c1ccccc1)c1ccccc1)[H]
SPLASH splash10-0frx-1691000000-6352966670151a42622c
Source of Spectrum B-26-167-20
Wiley ID 1368629