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bis[4-(Hydroxycarbonyl)-[2.2]paracyclophanyl-12]-ketone
SpectraBase Compound ID EkOSm0At5Ri
InChI InChI=1S/C35H30O5/c36-33(29-17-21-1-9-25(29)11-3-23-7-15-27(13-5-21)31(19-23)34(37)38)30-18-22-2-10-26(30)12-4-24-8-16-28(14-6-22)32(20-24)35(39)40/h1-2,7-10,15-20H,3-6,11-14H2,(H,37,38)(H,39,40)
InChIKey STANXVNHBSLGOD-UHFFFAOYSA-N
Mol Weight 530.6 g/mol
Molecular Formula C35H30O5
Exact Mass 530.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9xxtc5X57Le
Name bis[4-(Hydroxycarbonyl)-[2.2]paracyclophanyl-12]-ketone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H30O5
InChI InChI=1S/C35H30O5/c36-33(29-17-21-1-9-25(29)11-3-23-7-15-27(13-5-21)31(19-23)34(37)38)30-18-22-2-10-26(30)12-4-24-8-16-28(14-6-22)32(20-24)35(39)40/h1-2,7-10,15-20H,3-6,11-14H2,(H,37,38)(H,39,40)
InChIKey STANXVNHBSLGOD-UHFFFAOYSA-N
Molecular Weight 530.620 g/mol
SMILES OC(c1c2CCc3ccc(c(C(c4cc5CCc6c(C(=O)O)cc(CCc4cc5)cc6)=O)c3)CCc(c1)cc2)=O
SPLASH splash10-0f89-0940010000-ea1e25d78e0e1ce3311e
Source of Spectrum QF-46-1899-6
Wiley ID 833664