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4,2,8-Ethanylylidene-2H-1-benzopyran-10-one, 7-(acetyloxy)-6-chloro-3,4,4a,7,8,8a-hexahydro-, (2.alpha.,4.alpha.,4a.beta.,7.beta.,8.alpha.,8a.beta.,9R*)-
SpectraBase Compound ID 46LDv2Fe3vM
InChI InChI=1S/C13H13ClO4/c1-4(15)17-13-7(14)2-6-5-3-8-9(11(5)16)10(13)12(6)18-8/h2,5-6,8-10,12-13H,3H2,1H3/t5-,6-,8-,9+,10+,12+,13?/m1/s1
InChIKey ZFXFUXSBLDHVNM-DOBBNDKFSA-N
Mol Weight 268.7 g/mol
Molecular Formula C13H13ClO4
Exact Mass 268.050237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hp7O5WvMWOk
Name 4,2,8-Ethanylylidene-2H-1-benzopyran-10-one, 7-(acetyloxy)-6-chloro-3,4,4a,7,8,8a-hexahydro-, (2.alpha.,4.alpha.,4a.beta.,7.beta.,8.alpha.,8a.beta.,9R*)-
CAS Registry Number 78630-75-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClO4
InChI InChI=1S/C13H13ClO4/c1-4(15)17-13-7(14)2-6-5-3-8-9(11(5)16)10(13)12(6)18-8/h2,5-6,8-10,12-13H,3H2,1H3/t5-,6-,8-,9+,10+,12+,13?/m1/s1
InChIKey ZFXFUXSBLDHVNM-DOBBNDKFSA-N
Molecular Weight 268.696 g/mol
SMILES [C@]12([C@]3(C(=O)[C@]4([C@]([C@@]2(O[C@@]3(C4)[H])[H])(C=C(C1OC(=O)C)Cl)[H])[H])[H])[H]
SPLASH splash10-001l-9330000000-b6a0a47c3f7b7da78456
Source of Spectrum H-64-1016-0
Synonyms 11-chloro-3-oxo-7-oxatetracyclo[6.4.0.0(2,6).0(4,9)]dodec-10-en-12-yl acetate [11-chloro-3-oxo-7-oxatetracyclo[6.4.0.0(2,6).0(4,9)]dodec-10-en-12exo-yl]ester of acetic acid
Wiley ID 1271803