3-[12'-Ethenyl- 9',10'-dihydro-9',10'-ethanoanthracene-11'-ylidene]-[1-(13C)]-prop-2-enoic acid

SpectraBase Compound ID	JvRPdo10866
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/i19+1
InChIKey	YPHIAAIGLMVROM-PBCQYOGMSA-N Google Search
Mol Weight	301.35 g/mol
Molecular Formula	C2013CH16O2
Exact Mass	301.118385 g/mol

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SpectraBase Spectrum ID	E2gWRc2UPvq
Name	3-[12'-Ethenyl- 9',10'-dihydro-9',10'-ethanoanthracene-11'-ylidene]-[1-(13C)]-prop-2-enoic acid
Comments	Less than 3 mono-isotopic peaks; Original formula: C20[13C]H16O2
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/i19+1
InChIKey	YPHIAAIGLMVROM-PBCQYOGMSA-N
Molecular Weight	301.349 g/mol
SMILES	O[13C](C=C=C1[C@]2(c3ccccc3[C@@]([C@]1(C=C)[H])(c1ccccc21)[H])[H])=O
SPLASH	splash10-004i-0900000000-00e69ec1a5a9a0cc9203
Source of Spectrum	B-52-671-0
Synonyms	3-(12'-Ethenyl-9',10'-dihydro-9',10'-ethanoanthracene-11'-ylidene)-[1-¹³C]prop-2-enoic acid
Wiley ID	746317