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3-[12'-Ethenyl- 9',10'-dihydro-9',10'-ethanoanthracene-11'-ylidene]prop-2-enoic acid
SpectraBase Compound ID 5M6DeaZycwE
InChI InChI=1S/C21H16O2/c1-2-13-18(11-12-19(22)23)21-16-9-5-3-7-14(16)20(13)15-8-4-6-10-17(15)21/h2-10,12-13,20-21H,1H2,(H,22,23)/t11?,13-,20-,21+/m0/s1
InChIKey YPHIAAIGLMVROM-WAYYXFLXSA-N
Mol Weight 300.36 g/mol
Molecular Formula C21H16O2
Exact Mass 300.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CICtfpajIyD
Name 3-[12'-Ethenyl- 9',10'-dihydro-9',10'-ethanoanthracene-11'-ylidene]prop-2-enoic acid
Alternate Name(s) 3-(12'-Ethenyl-9',10'-dihydro-9',10'-ethanoanthracene-11'-ylidene)prop-2-enoic acid 3-(16-vinyltetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13-hexaen-15-ylidene)acrylic acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O2
InChI InChI=1S/C21H16O2/c1-2-13-18(11-12-19(22)23)21-16-9-5-3-7-14(16)20(13)15-8-4-6-10-17(15)21/h2-10,12-13,20-21H,1H2,(H,22,23)/t11?,13-,20-,21+/m0/s1
InChIKey YPHIAAIGLMVROM-WAYYXFLXSA-N
Molecular Weight 300.357 g/mol
SMILES OC(C=C=C1[C@]2(c3ccccc3[C@@]([C@]1(C=C)[H])(c1ccccc21)[H])[H])=O
SPLASH splash10-004i-0900000000-e2002cddb9a6814661cd
Source of Spectrum B-52-670-25
Wiley ID 746497