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9,10-Phenanthrenediol, 9,10-diethynyl-9,10-dihydro-, diacetate, trans-
SpectraBase Compound ID 7SOV1oR7yxD
InChI InChI=1S/C22H16O4/c1-5-21(25-15(3)23)19-13-9-7-11-17(19)18-12-8-10-14-20(18)22(21,6-2)26-16(4)24/h1-2,7-14H,3-4H3/t21-,22-/m0/s1
InChIKey OHQWNCRRYUOQPA-VXKWHMMOSA-N
Mol Weight 344.37 g/mol
Molecular Formula C22H16O4
Exact Mass 344.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IoLBEBxckLb
Name 9,10-Phenanthrenediol, 9,10-diethynyl-9,10-dihydro-, diacetate, trans-
Alternate Name(s) (9S,10S)-10-(acetyloxy)-9,10-diethynyl-9,10-dihydro-9-phenanthrenyl acetate trans-9,10-diacetoxy-9,10-diethinyl-9,10-dihydrophenanthrene
CAS Registry Number 66415-22-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16O4
InChI InChI=1S/C22H16O4/c1-5-21(25-15(3)23)19-13-9-7-11-17(19)18-12-8-10-14-20(18)22(21,6-2)26-16(4)24/h1-2,7-14H,3-4H3/t21-,22-/m0/s1
InChIKey OHQWNCRRYUOQPA-VXKWHMMOSA-N
Molecular Weight 344.366 g/mol
SMILES [C@]1([C@@](c2ccccc2-c2c1cccc2)(C#C)OC(=O)C)(C#C)OC(=O)C
SPLASH splash10-0k9f-6592000000-46bfb533940e380a10dd
Source of Spectrum H-61-275-0
Wiley ID 1338175