(1S,6R,7S,9R)-2-Iodo-5-oxo-4-oxa-tricyclo[4.2.1.0(3,7)]nonane-9-carboxylic acid methyl ester

SpectraBase Compound ID	5x5WBaYy0Y5
InChI	InChI=1S/C10H11IO4/c1-14-9(12)5-3-2-4-6(5)10(13)15-8(4)7(3)11/h3-8H,2H2,1H3/t3-,4+,5+,6-,7-,8-/m1/s1
InChIKey	VIPICYHXHUTBCQ-WNBCZPBOSA-N Google Search
Mol Weight	322.1 g/mol
Molecular Formula	C10H11IO4
Exact Mass	321.970204 g/mol

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SpectraBase Spectrum ID	4W8YewoMsN
Name	(1S,6R,7S,9R)-2-Iodo-5-oxo-4-oxa-tricyclo[4.2.1.0(3,7)]nonane-9-carboxylic acid methyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C10H11IO4
InChI	InChI=1S/C10H11IO4/c1-14-9(12)5-3-2-4-6(5)10(13)15-8(4)7(3)11/h3-8H,2H2,1H3/t3-,4+,5+,6-,7-,8-/m1/s1
InChIKey	VIPICYHXHUTBCQ-WNBCZPBOSA-N
Instrument Name	Agilent 6890N-5973N
Ionization Type	EI
Literature Reference DOI	10.3762/bjoc.4.29
Molecular Weight	322.098 g/mol
SMILES	[C@@]12([C@]3(C[C@@]([C@]2(I)[H])([C@@]([C@@]3(C(O1)=O)[H])(C(=O)OC)[H])[H])[H])[H]
SPLASH	splash10-0007-6910000000-bfeb53c23fe41ad7e871
Source of Spectrum	BJO-4-SM14-19
Wiley ID	1873160