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PHENYLSULPHONIC_ACID-METHYLESTER
SpectraBase Compound ID 72P6zeNvgt3
InChI InChI=1S/C7H8O3S/c1-10-11(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey CZXGXYBOQYQXQD-UHFFFAOYSA-N
Mol Weight 172.2 g/mol
Molecular Formula C7H8O3S
Exact Mass 172.019415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7paxKp5juvc
Name Benzenesulfonic acid, methyl ester
CAS Registry Number 80-18-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8O3S
InChI InChI=1S/C7H8O3S/c1-10-11(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey CZXGXYBOQYQXQD-UHFFFAOYSA-N
Molecular Weight 172.198 g/mol
SMILES c1c(cccc1)S(=O)(OC)=O
SPLASH splash10-004i-9200000000-28275d315d938b196470
Source of Spectrum W6-11554-0-0
Synonyms 20ND3-5 Methyl benzenesulfonate Methyl benzenesulphonate Methyl ester of benzenesulphonic acid AI3-06624 BRN 0908448 EINECS 201-256-8 NSC 06624 NSC 3214
Wiley ID 131348