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endo-7-chlor-6-(3-hydroxypropyl)-benzo[b]bicyclo[4.1.0]heptan-exo-7-carbonsaure-tert-butylester
SpectraBase Compound ID AD33X2ofRZO
InChI InChI=1S/C19H25ClO3/c1-17(2,3)23-16(22)19(20)15-14-8-5-4-7-13(14)9-11-18(15,19)10-6-12-21/h4-5,7-8,15,21H,6,9-12H2,1-3H3
InChIKey ROTJHNCQHCDNGO-UHFFFAOYSA-N
Mol Weight 336.86 g/mol
Molecular Formula C19H25ClO3
Exact Mass 336.149222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AgFcO6PhiX
Name endo-7-chlor-6-(3-hydroxypropyl)-benzo[b]bicyclo[4.1.0]heptan-exo-7-carbonsaure-tert-butylester
CAS Registry Number 100046-71-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25ClO3
InChI InChI=1S/C19H25ClO3/c1-17(2,3)23-16(22)19(20)15-14-8-5-4-7-13(14)9-11-18(15,19)10-6-12-21/h4-5,7-8,15,21H,6,9-12H2,1-3H3
InChIKey ROTJHNCQHCDNGO-UHFFFAOYSA-N
Molecular Weight 336.859 g/mol
SMILES OCCCC12C(C2c2c(cccc2)CC1)(C(OC(C)(C)C)=O)Cl
SPLASH splash10-000i-0009000000-1d86621a6971dc029fc3
Source of Spectrum K-119-1489-33
Synonyms tert-Butyl 1-chloro-1a-(3-hydroxypropyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylate
Wiley ID 1332405